Subject: How useful are Chime tutorials?
Date: Sat, 02 Feb 2002 01:24:22 +0000
To: rasmol@lists.umass.edu
--Boundary_(ID_f8+3VFLH8CrZo9cwdk7oEg)
In response to Gabriel Pons' question...
A paper by White, et al. describing the assessment of molecular
visuslization techniques in lecture and laboratory settings is coming
out in Biochemistry and Molecular Biology Education (BaMBEd). BaMBEd is
changing publishers, moving from Elsevier to Highwire Press in the near
future. You will be able to access this journal from
http://www.highwire.org/.
IMHO, any useful assessment tools for evaluating Chime-coupled learning
that are developed by Chimeleans should be shared on this listserve. And
it should be pointed out that, in addition to the valuable learning
experiences that student construction of Chime tutorials provides, it
also is an effective gauge of student learning. In order for students to
build a Chime button that evokes a pedagogically useful response of a
molecule, students engage in variuous degrees of learning about
macromolecular structure-function relationships. The sophistication of
the biochemistry that students illustrate through Chime scripting can be
useful in evaluating the depth of their learning. I strongly agree that
student work needs to be thoroughly reviwed, edited, and sometimes
rewritten before web publication. This comes from a long (6 year)
experience of using Chime tutorials as student learning projects.
Cheers, David
<<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>>
David Marcey
Fletcher Jones Professor of Developmental Biology
CLU Department of Biology, MC3700
60 W. Olsen Rd.
Thousand Oaks, CA 91360
(805)-493-3263, 3590
marcey@clunet.edu
Visit The Online Macromolecular Museum at:
http://www.clunet.edu/BioDev/omm/gallery.htm
<<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>>
--Boundary_(ID_f8+3VFLH8CrZo9cwdk7oEg)
In response to Gabriel Pons' question...
A paper by White, et al. describing the assessment of molecular visuslization
techniques in lecture and laboratory settings is coming out in Biochemistry
and Molecular Biology Education (BaMBEd). BaMBEd is changing
publishers, moving from Elsevier to Highwire Press in the near future.
You will be able to access this journal from http://www.highwire.org/.
IMHO, any useful assessment tools for evaluating Chime-coupled learning
that are developed by Chimeleans should be shared on this listserve. And
it should be pointed out that, in addition to the valuable learning experiences
that student construction of Chime tutorials provides, it also is an effective
gauge of student learning. In order for students to build a Chime
button that evokes a pedagogically useful response of a molecule, students
engage in variuous degrees of learning about macromolecular structure-function
relationships. The sophistication of the biochemistry that students illustrate
through Chime scripting can be useful in evaluating the depth of their
learning. I strongly agree that student work needs to be thoroughly reviwed,
edited, and sometimes rewritten before web publication. This comes from
a long (6 year) experience of using Chime tutorials as student learning
projects.
Cheers, David
<<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>>
David Marcey
Fletcher Jones Professor of Developmental Biology
CLU Department of Biology, MC3700
60 W. Olsen Rd.
Thousand Oaks, CA 91360
(805)-493-3263, 3590
marcey@clunet.edu
Visit The Online
Macromolecular Museum at:
http://www.clunet.edu/BioDev/omm/gallery.htm
<<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>><<>>
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From: "Herbert J. Bernstein"
Subject: workstations wanted (ARCiB project)
Date: Sat, 02 Feb 2002 20:42:03 -0500
To: rasmol@lists.umass.edu
Workstations and Remote Access Wanted
Accessible Retired Computers in Biology (ARCiB) Project
Work Funded in part by the National Science Foundation
The Accessible Retired Computers in Biology (ARCiB) project at Dowling
College has been funded by the NSF. The project provides ongoing
transitional support for software packages, especially those associated
with structural biology, as existing hardware platforms are replaced.
This will reduce disruption to research and education programs that
use these software packages.
ARCiB will be used to help support existing packages and make them
available by remote access. If packages are open source and the
developer would like to transfer all or part of the support, ARCiB
will offer both an archive location for source and binaries as well
as making the packages available. Undergraduates are actively
involved in this research program for maintaining multi-platform
interoperability. The project is soliciting donations of older,
but working, graphics workstations and/or remote access to such
workstations. Business and schools that are willing to donate
such computers or to provide remote access to them for use in porting
releases of software important to biology should contact the ARCiB
project at Dowling College. It is very important that donated systems
be complete with operating system, compilers, licenses, keyboard,
monitor and mouse, and the necessary documentation to allow the
project to rename and renumber the workstation to work on a new
local area network. Systems made available for remote access should
support SSH. Business and schools making such donations would be
doing a service to the community. This service would be gratefully
and publicly acknowledged.
Right now, we are particularly interested in Sun, DEC/Compaq, SGI
and IBM workstations. Please send email describing what you have
available to yaya@dowling.edu. Please do not ship systems without
prior arrangement. We want to give each donated machine proper
attention.
=====================================================
Herbert J. Bernstein, Professor of Computer Science
Dowling College, Kramer Science Center, KSC 020
Idle Hour Blvd, Oakdale, NY, 11769
yaya@dowling.edu
=====================================================
P.S. For those with a particular interest in RasMol, I should
point out that RasMol is, of course, one of the packages that
ARCiB will support. As Eric Martz has noted, we want donations
of older computers as testbeds so we can verify that newer
versions of important software packages such as RasMol still
run on them. -- HJB
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From: shalpine@earthlink.net
Subject: How useful are chime tutorials
Date: Mon, 04 Feb 2002 11:54:01 -0800
To: RASter display of MOLecular structure
Dear Gabriel:
As a multimedia educational developer, I see your question pointing to
very fundamental issues ("How useful are chime tutorials"). I've worked
on several CD-Roms and companion Websites for college level-textbooks
(Lodish Molecular Cell Biology CD-Rom, Kuby Immunology Website to name
two previously mentioned here). For me, the effectiveness of multimedia
material is critically important.
Pat O'Hern hit on two key elements: student engagement and grade
outcome. However, I believe that only when we have software that K-16
students can use to prepare their own multimedia assignments - without
having to learn languages like HTML and wrestle with poorly designed
interfaces - only when the student can work within the same format as
the instructional content will electronic educational media reach its
full potential.
Thank you for initiating an interesting discussion.
Susana
Susana Maria Halpine
Artist-Biochemist
Candle Light Productions
239 Sunridge Street
Playa del Rey, CA 90293
(310) 306-8399
shalpine@earthlink.net
http://home.earthlink.net/~shalpine
Women Chemists Committee Chair
American Chemical Society, Los Angeles Section
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From: Eric Martz
Subject: Re: What are they learning from Chime?
Date: Mon, 04 Feb 2002 16:57:04 -0500
To: rasmol@lists.umass.edu
[I'm forwarding this message from Don Harden to circumvent technical
difficuties. "Similar" apparently refers to the results sent in an earlier
message by Jeff Cohlberg. -Eric Martz]
A study of undergraduate biochemistry students in Georgia found similar
results. "RasMol and Mage in the Undergraduate Biochemistry Curriculum",
J. Chem. Educ. (2000), 77(3), 401-406.
--
Dr. Don Harden harden@Gsu.EDU
Department of Chemistry 547 NSC
Georgia State University ph: (404) 651-3580
Atlanta, Ga. 30302 fax: (404) 651-1416
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From: Eric Martz
Subject: RE: write commands from chime - help
Date: Mon, 04 Feb 2002 17:01:12 -0500
To: rasmol@lists.umass.edu
[I am forwarding this message from Henry Brzeski to the list to circumvent
technical difficulties. -Eric Martz]
Todd
> I wanted to use these in a Chime page homework assignment.
> Students would manipuate a chime image and then push the write
> button to save their work on files on a disk in the a: drive to
> be turned in to me.
This is not a direct reply to your question but is something that might help
if you want.
Some time back in a previous job I also wanted to log student responses to
Chime tutorials. I spoke with a guy who understood the internet far better
than I did and he suggested mounting the page in a particular fashion so
that all accesses could be logged by a ?Unix script? which tracked all
interactions with the page and the IDs of all atoms clicked on in Chime.
This was done in a Lotus Notes environment and each user had to log on so
that the server could pick up both the student's identity as well as which
atoms were clicked.
All the messages from Chime were logged in a file along with the student's
ID. This meant that you could see if the student took 20 clicks to get to
the desired position or managed to do it in 2. The purpose of this tutorial
was to see if the instructions were clear or confusing and so try and
maximise the uses for Chime
I was then offered a new job and did not manage to pursue this project to
the end but the idea was to import the logged clicks into a database and
look for common mistakes and also to try and write a program or replay the
clicks to see how the student was accessing the structure. Neither of these
ideas was realised. (The best laid plans of mice and men aft gang aglay -
Robbie Burns)
If you are interested in this oblique solution to your problem then let me
know.
h
Dr Henry Brzeski
Executive Director
The Windber Research Institute
600 Somerset Avenue
Windber
Pennsylvania 15963
USA
Phone +1 814-467-9844
Direct line +1 814-467-9464
Fax +1 814-467-6334
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From: Philippe
Subject: RasTop on Macintosh
Date: Fri, 01 Feb 2002 17:20:49 -0800
To: rasmol@lists.umass.edu
This is a multi-part message in MIME format.
--Boundary_(ID_9ZfT4JsL4uE/Zup9rQxrDw)
Dear Mac users,
Thanks to the testing of Patrick Dansette form the CNRS, France, and Joel Sussman from the Weissman Institute, Israel, RasTop works fine on Mac using Virtual PC. If you have Virtual PC installed on your machine, do not hesitate to download RasTop (www.geneinfinity.org/rastop) and see RasMol in action with a powerful graphic interface.
Many of you asked my to port RasTop for X-windows, a windowing system found on Unix, Linux, and now Mac OSX. Unfortunately, RasTop uses a programming method that is specific for Windows platform and is not easy to port. With open-source projects, it is more usual to write the interface for X-windows and to port it to Windows after all. It would be tremendous if someone considers this project. The impact would be just enormous for the community and I am sure it would generate a lot of support.
Thanks,
Philippe
---------------------------
*** RasTop ***
---------------------------
Philippe Valadon
P.O. Box 13014, La Jolla, CA 92039, USA.
valadon@ix.netcom.com
--Boundary_(ID_9ZfT4JsL4uE/Zup9rQxrDw)
Dear Mac users,
Thanks to the testing of Patrick Dansette form the
CNRS, France, and Joel Sussman from the Weissman Institute, Israel, RasTop works
fine on Mac using Virtual PC. If you have Virtual PC installed on your machine,
do not hesitate to download RasTop (www.geneinfinity.org/rastop) and
see RasMol in action with a powerful graphic interface.
Many of you asked my to port RasTop for X-windows,
a windowing system found on Unix, Linux, and now Mac OSX. Unfortunately, RasTop
uses a programming method that is
specific for Windows platform and is not easy to port. With open-source
projects, it is more usual to write the interface for X-windows and to port it
to Windows after all. It would be tremendous if someone considers this project.
The impact would be just enormous for the community and I am sure it would
generate a lot of support.
Thanks,
Philippe
---------------------------
***
RasTop ***
---------------------------
Philippe
Valadon
P.O. Box 13014, La Jolla, CA 92039, USA.
valadon@ix.netcom.com
--Boundary_(ID_9ZfT4JsL4uE/Zup9rQxrDw)--
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boundary="Boundary_(ID_1fZo/fp57w1t/QB2WzAYmg)"
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++++------+------+------+------+------+------+------+------+------+------+
From: Philippe
Subject: RasTop on Macintosh
Date: Fri, 01 Feb 2002 17:08:25 -0800
To: rasmol@lists.umass.edu
This is a multi-part message in MIME format.
--Boundary_(ID_1fZo/fp57w1t/QB2WzAYmg)
Dear Mac users,
Thanks to the testing of Patrick Dansette form the CNRS, France, and Joel Sussman from the Weissman Institute, Israel, RasTop works fine on Mac using Virtual PC. If you have Virtual PC installed on your machine, do not hesitate to download RasTop (www.geneinfinity.org/rastop) and see RasMol in action with a powerful graphic interface.
Many of you asked my to port RasTop for X-windows, a windowing system found on Unix, Linux, and now Mac OSX. Unfortunately, RasTop uses a programming method that is specific for Windows platform and is not easy to port. With open-source projects, it is more usual to write the interface for X-windows and to port it to Windows after all. It would be tremendous if someone considers this project. The impact would be just enormous for the community and I am sure it would generate a lot of support.
Thanks,
Philippe
---------------------------
*** RasTop ***
---------------------------
Philippe Valadon
P.O. Box 13014, La Jolla, CA 92039, USA.
valadon@ix.netcom.com
--Boundary_(ID_1fZo/fp57w1t/QB2WzAYmg)
Dear Mac users,
Thanks to the testing of Patrick Dansette form the
CNRS, France, and Joel Sussman from the Weissman Institute, Israel, RasTop works
fine on Mac using Virtual PC. If you have Virtual PC installed on your machine,
do not hesitate to download RasTop (www.geneinfinity.org/rastop) and
see RasMol in action with a powerful graphic interface.
Many of you asked my to port RasTop for X-windows,
a windowing system found on Unix, Linux, and now Mac OSX. Unfortunately, RasTop
uses a programming method that is
specific for Windows platform and is not easy to port. With open-source
projects, it is more usual to write the interface for X-windows and to port it
to Windows after all. It would be tremendous if someone considers this project.
The impact would be just enormous for the community and I am sure it would
generate a lot of support.
Thanks,
Philippe
---------------------------
***
RasTop ***
---------------------------
Philippe
Valadon
P.O. Box 13014, La Jolla, CA 92039, USA.
valadon@ix.netcom.com
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From: "Pat O'Hern"
Subject: Dr. Brzeski's email?
Date: Tue, 05 Feb 2002 13:48:01 +0000
To: rasmol@lists.umass.edu
I am interested in Dr. Brzeski's Unix tracking of student responses. He suggested we contact him for further information. However, he did not include an email address in his posting. What is the best way to contact him?
Thanks,
Pat O'Hern
Patricia A. O'Hern, Ph.D.
Computer-based Training
and Web Design
318 N. Decatur Lane
Decatur, GA 30033
Ph: (404) 508-0375
FX: (404) 508-0128
pat_ohern@hotmail.com
Join the world’s largest e-mail service with MSN Hotmail. Click Here
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From: Eric Martz
Subject: Brzeski's email
Date: Tue, 05 Feb 2002 09:53:50 -0500
To: rasmol@lists.umass.edu
Cc: pat_ohern@hotmail.com
Henry Brzeski's NEW email is h.brzeski@wriwindber.org
-Eric Martz
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From: Brian White
Subject: Evaluations of mol vis
Date: Tue, 05 Feb 2002 11:02:33 -0500
To: rasmol@lists.umass.edu
Another interesting article about using visualizations is:
Wu, H.-K., J.S. Krajcik, and E. Soloway, Journal of Research in Science
Teaching 38(7) (2001) 821-842.
Brian
--
Prof. Brian White
Biology Department
University of Massachusetts, Boston
100 Morrissey Blvd
Boston MA 02125
(617) 287-6630
fax:(617) 287-6650
brian.white@umb.edu
http://omega.cc.umb.edu/~bwhite/
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From: "J. Ricky Cox"
Subject: Re: Evaluations of mol vis
Date: Tue, 05 Feb 2002 10:38:54 -0600
To: rasmol@lists.umass.edu
Dear List:
Since there are many references floating around on this topic, I cannot
resist adding to the list (see below). My experience with molecular
visualization is summarized in the papers below. Although some
assessment is included in these papers, I am well aware that a more
structured and aggressive approach to "grading" the usefulness
of molecular visualization tools (chime, PE, RasMol, etc.) is
needed. I am currently working on a project to integrate (and
assess) visualization projects in a large biochemistry class (over 60
students). Overall, I agree with others who have commented on the
need to put the visualization tools in the hands of students and not just
use it to enhance instructor-based lectures.
Thanks,
Ricky
------------------
Cox, J. R. =93Teaching Noncovalent Interactions in the
Biochemistry Curriculum Through Molecular Visualization: The Search for
pi Interactions=94 J. Chem. Educ. 2000, 77,
1424-1428.
http://jchemed.chem.wisc.edu/Journal/Issues/2000/=
Nov/abs1424.html
Canning, D. R. and Cox, J. R. =93Teaching the Structural Nature of
Biological Molecules: Molecular Visualization in the Classroom and in the
Hands of Students=94 Chem. Educ. Res. Prac. Eur. 2001,
2, 109-122.
http://www.uoi.gr/conf_sem/cerapie/2001_May/contents.html=
Peterson, R. R. and Cox, J. R. =93Integrating Computational Chemistry int=
o
a Project-Oriented Biochemistry Laboratory Experience: A New Twist on the
Lysozyme Experiment=94 J. Chem. Educ. 2001, 78,
1551-1555.
http://jchemed.chem.wisc.edu/Journal/Issues/2001/=
Nov/abs1551.html
----------------------
----------------------------------------------------------------
Dr. J. Ricky Cox
Assistant Professor of Chemistry
Murray State University
456 Blackburn Science Bldg.
Murray, KY 42071-3346
Phone: 270-762-6543
Fax:
270-762-6474
http://www.mursuky.edu/qacd/cos/che/faculty/jrc.htm
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From: Mitch Barker
Subject: Non web based Simple Molecule visualizer
Date: Mon, 11 Feb 2002 09:58:01 -0500
To: rasmol@lists.umass.edu
Hello,
We're writing a commercial application in which we'd like to display molecular structures. Our customers are chemists and most likely can provide structures in the usual common formats such as .mol, .chx, sk2, etc.
The main focus of our app is running automated equipment, and the visualization is for depicting the chemicals used by the equipment. In other words, we're not writing a visualization application, but we'd like to depict the chemicals as structures as opposed to just text. We had a web based version, and chime worked perfectly. Now we are making a non-web version (microsoft) so I'm looking for an equivalent. No fancy bells and whistles such as rotation, just a simple visual depiction.
I've found a few activeX controls, but they are quite expensive (>$500)
Thanks for any suggestions.
Mitch
www.avantium.com
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From: Eric Martz
Subject: Second Annual UMass Bioinformatics Conference
Date: Mon, 11 Feb 2002 10:48:47 -0500
To: rasmol@lists.umass.edu
Second Annual UMass Bioinformatics
Conference
The University of Massachusetts Lowell
Lowell, Massachusetts, USA
Thursday - Friday, May 2-3, 2002
Call For Presentations and Posters
The goal of this second conference will be to foster
University-Industry relations in Bioinformatics.=A0 We encourage and
solicit participation by faculty and students in biology, chemistry,
mathematics, and computer science whose goals are to advance
state-of-the-art systems in Bioinformatics, Cheminformatics, Genomics,
and Proteomics.
Suggested topics include but of course are not limited to:
University-Industry Partnerships in Bioinformatics and Genomics *
Proteomics * Advances in Microarray Technology and Data Analysis * Gene
Mapping (Statistical Genomics) * Protein-protein interactions * in Silico
Gene Detection * Pharmacogenomics * Using Bioinformatics Technologies in
the Classroom/Curriculum Development * Evolutionary Genomics=A0 *
Bioinformatics Tools: Their Use and Development * Data Visualization *
Environmental Informatics * Data Mining * Neuroinformatics *
Computational Structural Biology * Physiological Genomics * Phylogenetics
and Molecular Evolution * Ethical, Legal and Social Implications of
Genome Research
Submission deadline is March 15, 2002.
Send abstracts as attachments to James_LyonsWeiler@uml.edu, or by
post to
James Lyons-Weiler
University of Massachusetts Lowell
One University Avenue
Lowell, MA 01854
Re: Paper for 2002 Bioinformatics Conference
Abstracts submitted via email must be submitted as word (*.doc) or text
(*.txt) documents. Files containing papers must be named after the first
author (e.g., LyonsWeiler.doc or LyonsWeiler.txt). Submissions must
include the e-mail address of the corresponding presenter.
Additional information can be found at
http://www.cs.uml.edu/bioinformatics/2002conference
Keynote Speakers will include:
Dr. James Cassatt, Ph.D., Director, Division of Cell Biology and
Biophysics, National Institute of General Medical Sciences at NIH, and
member of Bioinformatics Development Committee
=A0
Dr. Phil Reilly, M.D., J.D., CEO, Interleukin Genetics Incorporated
Please forward this email to all interested faculty in your
department.
The UMASS Lowell Bioinformatics Conference Committee
=A0=A0=A0 James Lyons-Weiler, Biological Sciences, Co-Chair
=A0=A0=A0 James_LyonsWeiler@uml.edu
=A0=A0=A0 Georges Grinstein, Computer Science, Co-Chair
=A0=A0=A0 grinstein@cs.uml.edu
=A0=A0=A0 Kenneth Marx, Chemistry
=A0=A0=A0 kenneth_marx@uml.edu
=A0=A0=A0 Susan Braunhut, Biological Sciences
=A0=A0=A0 Susan_Braunhut@uml.edu
=A0=A0=A0 Haim Levkowitz, Computer Science
=A0=A0=A0 haim@cs.uml.edu
=A0=A0=A0 Anne Marie Hurley, Mathematics
=A0=A0=A0 AnnMarie_Hurley@uml.edu
=A0=A0=A0 Lee Jones, Mathematics
=A0=A0=A0 Lee_Jones@uml.edu
=A0=A0=A0 Eugene Mellican, Philosophy
=A0=A0=A0 Eugene_Mellican@uml.edu
=A0=A0=A0 David Lapointe, UMASS Worcester
=A0=A0=A0 David.Lapointe@umassmed.edu
=A0=A0=A0 Dane Netherton, Advancement Office
=A0=A0=A0 dane_netherton@uml.edu
=A0=A0=A0 Urska Cvek
=A0=A0=A0 Graduate Student Representative
last updated 2/7/02
--
James Lyons-Weiler, PhD
Department of Biological Sciences;
Laboratory of Molecular Systematics and Evolutionary Genomics;
Center for Bioinformatics and Computational Biology
One University Avenue
University of Massachusetts, Lowell
Lowell, MA 01854
Lab: 978-934-2865=A0 [http://bio.uml.edu/LW/Lab.html]
Office:978-934-2874
Fax: 978-934-3044
Email: James_LyonsWeiler@uml.edu
Home Page: http://bio.uml.edu/LW/JLW.html
Center: http://bio.uml.edu/LW/Center.html
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From: "Roberts, Rebecca"
Subject: RE: Second Annual UMass Bioinformatics Conference
Date: Mon, 11 Feb 2002 14:38:15 -0500
To: "'rasmol@lists.umass.edu'"
This message is in MIME format. Since your mail reader does not understand
this format, some or all of this message may not be legible.
--Boundary_(ID_PLYEjT+Mx85LPUBrPL+TDg)
Eric,
Thanks for sending this information along. I'm wondering if you think
this would be an appropriate meeting for me to attend. I would not be able
to present, however, I'm at the start of designing a new structural biology
course and hope to use bioinformatics extensively. Do you think that I may
make some good connections at such a meeting? I was especially interested
in the section on Using Bioinformatics Technologies in the
Classroom/Curriculum Development.
thanks,
BecX-X-Sender:
++++------+------+------+------+------+------+------+------+------+------+
From: southey@ux1.cso.uiuc.edu
Subject: Bioinformatics in the classroom
Date: Wed, 13 Feb 2002 13:59:20 -0600 (CST)
To: "'rasmol@lists.umass.edu'"
Cc: rroberts@ursinus.edu
Hi,
I changed the subject from RE:Second Annual UMass Bioinformatics
Conference so I hope you don't mind.
The Biology Student Workbench (http://peptide.ncsa.uiuc.edu), headed by
Dr Eric Jakobsson (jake@ncsa.uiuc.edu), is orientated to introducing
bioinformatics into the classroom. Our present group involves a wide
range of people (high school teachers and University teachers) across the
United States and we would welcome everybody around the world who are
interested in this.
At our web site, you will find a large number of tutorials (in addition to
other information) developed by a range of people using the Biology
Workbench (http://workbench.sdsc.edu). The Biology Workbench is actually
a suite of bioinformatics tools that can be used on DNA and protein
sequences and any subsequent alignments. I have forgotten how many tools
but over 80 and has over 100 databases.
Also, we have developed an alternative interface to the Biology Workbench
- Student Interface to the Biology Workbench (SIB). You can find more
information about it (and other information) at
http://deltas.animal.uiuc.edu/sibdoc/
The actual interface is
http://deltas.animal.uiuc.edu/sib/servlet/SIB
(eventually I will make a more formal announcement of SIB).
Please let me know if I can help further,
Regards,
Bruce Southey
On Mon, 11 Feb 2002, Roberts, Rebecca wrote:
> Eric,
>
> Thanks for sending this information along. I'm wondering if you think
> this would be an appropriate meeting for me to attend. I would not be able
> to present, however, I'm at the start of designing a new structural biology
> course and hope to use bioinformatics extensively. Do you think that I may
> make some good connections at such a meeting? I was especially interested
> in the section on Using Bioinformatics Technologies in the
> Classroom/Curriculum Development.
>
> thanks,
>
> Becky
>
> ----------------------------------------
> Dr. Rebecca A. Roberts
> Assistant Professor
> Department of Biology
> Ursinus College
> Collegeville PA 19426
> (610) 489-4111 ext 2665
>
> -----Original Message-----
> From: Eric Martz [mailto:emartz@microbio.umass.edu]
> Sent: Monday, February 11, 2002 10:49 AM
> To: rasmol@lists.umass.edu
> Subject: Second Annual UMass Bioinformatics Conference
>
>
> Second Annual UMass Bioinformatics Conference
> The University of Massachusetts Lowell
> Lowell, Massachusetts, USA
> Thursday - Friday, May 2-3, 2002
>
> Call For Presentations and Posters
>
> The goal of this second conference will be to foster University-Industry
> relations in Bioinformatics. We encourage and solicit participation by
> faculty and students in biology, chemistry, mathematics, and computer
> science whose goals are to advance state-of-the-art systems in
> Bioinformatics, Cheminformatics, Genomics, and Proteomics.
> Suggested topics include but of course are not limited to:
>
> University-Industry Partnerships in Bioinformatics and Genomics * Proteomics
> * Advances in Microarray Technology and Data Analysis * Gene Mapping
> (Statistical Genomics) * Protein-protein interactions * in Silico Gene
> Detection * Pharmacogenomics * Using Bioinformatics Technologies in the
> Classroom/Curriculum Development * Evolutionary Genomics * Bioinformatics
> Tools: Their Use and Development * Data Visualization * Environmental
> Informatics * Data Mining * Neuroinformatics * Computational Structural
> Biology * Physiological Genomics * Phylogenetics and Molecular Evolution *
> Ethical, Legal and Social Implications of Genome Research
>
> Submission deadline is March 15, 2002.
>
> Send abstracts as attachments to James_LyonsWeiler@uml.edu, or by post to
> James Lyons-Weiler
> University of Massachusetts Lowell
> One University Avenue
> Lowell, MA 01854
> Re: Paper for 2002 Bioinformatics Conference
>
> Abstracts submitted via email must be submitted as word (*.doc) or text
> (*.txt) documents. Files containing papers must be named after the first
> author (e.g., LyonsWeiler.doc or LyonsWeiler.txt). Submissions must include
> the e-mail address of the corresponding presenter.
>
> Additional information can be found at
> http://www.cs.uml.edu/bioinformatics/2002conference
>
>
> Keynote Speakers will include:
> Dr. James Cassatt, Ph.D., Director, Division of Cell Biology and Biophysics,
> National Institute of General Medical Sciences at NIH, and member of
> Bioinformatics Development Committee
>
> Dr. Phil Reilly, M.D., J.D., CEO, Interleukin Genetics Incorporated
>
> Please forward this email to all interested faculty in your department.
>
> The UMASS Lowell Bioinformatics Conference Committee
> James Lyons-Weiler, Biological Sciences, Co-Chair
> James_LyonsWeiler@uml.edu
> Georges Grinstein, Computer Science, Co-Chair
> grinstein@cs.uml.edu
> Kenneth Marx, Chemistry
> kenneth_marx@uml.edu
> Susan Braunhut, Biological Sciences
> Susan_Braunhut@uml.edu
> Haim Levkowitz, Computer Science
> haim@cs.uml.edu
> Anne Marie Hurley, Mathematics
> AnnMarie_Hurley@uml.edu
> Lee Jones, Mathematics
> Lee_Jones@uml.edu
> Eugene Mellican, Philosophy
> Eugene_Mellican@uml.edu
> David Lapointe, UMASS Worcester
> David.Lapointe@umassmed.edu
> Dane Netherton, Advancement Office
> dane_netherton@uml.edu
> Urska Cvek
> Graduate Student Representative
>
> last updated 2/7/02
> --
> James Lyons-Weiler, PhD
> Department of Biological Sciences;
> Laboratory of Molecular Systematics and Evolutionary Genomics;
> Center for Bioinformatics and Computational Biology
> One University Avenue
> University of Massachusetts, Lowell
> Lowell, MA 01854
>
> Lab: 978-934-2865 [http://bio.uml.edu/LW/Lab.html]
> Office:978-934-2874
> Fax: 978-934-3044
> Email: James_LyonsWeiler@uml.edu
> Home Page: http://bio.uml.edu/LW/JLW.html
> Center: http://bio.uml.edu/LW/Center.html
>
>
>
>
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++++------+------+------+------+------+------+------+------+------+------+
From: Jennifer Muzyka
Subject: chime symposium at BCCE
Date: Mon, 18 Feb 2002 12:02:44 -0500
To: rasmol@lists.umass.edu
--Boundary_(ID_/QDvYV5Sy2HM/EKehH/iSA)
At the upcoming Biennial
Conference on Chemical Education in Bellingham, WA, there will be a
symposium on "Chemscape Chime as a Visualization Tool." If you are
interested in giving a presentation in this symposium, please submit your
abstract at the conference web
site: http://www.mgmaccess.net/bcce/app_callpapers.asp
Please direct any questions related to this symposium to me.
-Jennifer
Jennifer Muzyka
Associate Professor of Chemistry
Centre College
600 W. Walnut St.
Danville, KY 40422
muzyka@centre.edu
http://web.centre.edu/~muzyka
859-238-5413
fax 859-236-7925
--Boundary_(ID_/QDvYV5Sy2HM/EKehH/iSA)
At the upcoming
Biennial Conference on
Chemical Education in Bellingham, WA, there will be a symposium on
"Chemscape Chime as a Visualization Tool." If you are
interested in giving a presentation in this symposium, please submit your
abstract at the conference web site:
http://www.mgmaccess.net/bcce/app_callpapers.asp
Please direct any questions related to this symposium to me.
-Jennifer
Jennifer Muzyka
Associate Professor of Chemistry
Centre College
600 W. Walnut St.
Danville, KY 40422
muzyka@centre.edu
http://web.centre.edu/~muzyka
859-238-5413
fax 859-236-7925
--Boundary_(ID_/QDvYV5Sy2HM/EKehH/iSA)--
++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: Beware Klez.E worm
Date: Tue, 19 Feb 2002 15:58:41 -0500
To: rasmol@lists.umass.edu
A particularly vicious email worm is about for Windows, called
W32.Klez.E@mm. Infected computers send email from forged senders/return
addresses, with an attachment containing the worm. The worm infects your
computer only if you run the attachment, so DON'T double-click on any
attachments unless you're certain they are legitimate. Bucknell College,
for one place, is heavily infected. My personal email has received a couple
of hundred worm-laden emails from Bucknell computers in the past few days!
I hope none get through to this list, but if a list-broadcast message
should arrive with an attachment, DON'T EXECUTE IT. Remember, we're not
supposed to attach files in messages to the list anyway!
Update your virus scanner, and run it regularly!
-Eric, your list manager
----------------------------------------------------------------rasmol-+
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References: <200202192046.g1JKkV221658@marlin.bio.umass.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: T & S Carlson
Subject: Re: Beware Klez.E worm
Date: Tue, 19 Feb 2002 22:23:04 -0500
To: rasmol@lists.umass.edu
Thanks
Does the e-mail or attachment have a telltale title/subject?
Todd
Eric Martz wrote:
>
> A particularly vicious email worm is about for Windows, called
> W32.Klez.E@mm. Infected computers send email from forged senders/return
> addresses, with an attachment containing the worm. The worm infects your
> computer only if you run the attachment, so DON'T double-click on any
> attachments unless you're certain they are legitimate. Bucknell College,
> for one place, is heavily infected. My personal email has received a couple
> of hundred worm-laden emails from Bucknell computers in the past few days!
> I hope none get through to this list, but if a list-broadcast message
> should arrive with an attachment, DON'T EXECUTE IT. Remember, we're not
> supposed to attach files in messages to the list anyway!
>
> Update your virus scanner, and run it regularly!
>
> -Eric, your list manager
>
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From: Eric Martz
Subject: Protein Explorer 1.922 alpha; Atlas of Macromolecules
Date: Mon, 25 Feb 2002 10:38:25 -0500
To: rasmol@lists.umass.edu
I have put Protein Explorer 1.922 alpha on-line, and it is downloadable. In
order to get to this version, go to http://proteinexplorer.org (1.901 beta)
and then click on the big red link "Internet Explorer-compatible upgrade now
available".
New features:
-A new Atlas of Macromolecules, including browsable links to over 70 PDB
files divided into over a dozen sections, such as integral membrane
proteins, whole virus capsids, anthrax toxins, immuno-molecules, unusual
tertiary/quaternary structures, and "magnificent molecular machines". Some
small screenshots decorate the Atlas. Nominations of molecules to include in
the Atlas are welcome. To get to the Atlas, look for the large link at the
bottom of the leftmost gray box on PE's FrontDoor. Or go directly to
http://www.umass.edu/microbio/chime/beta/pe_alpha/protexpl/atlas.htm
-Improvements in Seq3D: clicking on residues (or ranges) in the sequence
listing can now highlight the 3D counterparts in all identical chains. Both
the display and color lists now include "no change". Thus, you can spacefill
without changing the color, or change the color but not the rendering.
-New QuickViews color scheme "Chains (PE)" distinguishes chains by color
more clearly than Chime's built-in scheme, now designated "Chains (Chime)".
-Total number of chains is now reported in the Molecule Information Window,
on the Sequences display, and display of the incorrect report from Chime in
the message window is suppressed.
-Troubleshooting is revised, and includes troubleshooting for IE as well as
Netscape, and the 1 gigabyte Macintosh problem.
-Now works just fine on the Macintosh, so although Mac user's can't use the
new Windows-IE compatibility, they can use the new features listed above.
1.91 and 1.92 alpha have been tested extensively now, and seem to work well
as intended in Windows Internet Explorer as well as Netscape (Windows or
Macintosh). No major problems have been reported. This version will become
'beta' after I get around to fixing a few remaining loose ends concerning
Internet Explorer compatibility, notably the tutorial movies. The plan is
that later this year, it will mature to version 2.0 and replace the ancient
version 1.0 at the Protein Data Bank.
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
----------------------------------------------------------------rasmol-+
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++++------+------+------+------+------+------+------+------+------+------+
From: David Margulies
Subject: RE: Protein Explorer 1.922 alpha; Atlas of Macromolecules
Date: Mon, 25 Feb 2002 11:05:57 -0500
To: "'rasmol@lists.umass.edu'"
This message is in MIME format. Since your mail reader does not understand
this format, some or all of this message may not be legible.
--Boundary_(ID_OEYqnQFKJSEMoV54LCfbIg)
Eric:
Looks good. I would nominate these for consideration to include:
1. 1qo3 (complex of MHC-I, H-2Dd, and NK inihibitory
receptor, Ly49A) (the physiological site now appears to be defined by
asymmetry-related element rather than the site seen in the AU)
2. 1efx and 1im9, two examples of KIR2/HLA-C complexes, the
first is KIR2DL2/HLA-Cw3 and the second is KIR2DL1/HLA-Cw4
3. finally, 1hyr, 1jfm, and/or 1kcg. All examaples of NKG2D
complexed: a) with MICA; b) with RAE-1b; and c) with ULBP
David
----------
> From: Eric Martz
> Reply To: rasmol@lists.umass.edu
> Sent: Monday, February 25, 2002 10:38 AM
> To: rasmol@lists.umass.edu
> Subject: Protein Explorer 1.922 alpha; Atlas of Macromolecules
>
> I have put Protein Explorer 1.922 alpha on-line, and it is downloadable.
> In
> order to get to this version, go to http://proteinexplorer.org (1.901
> beta)
> and then click on the big red link "Internet Explorer-compatible upgrade
> now
> available".
>
> New features:
>
> -A new Atlas of Macromolecules, including browsable links to over 70 PDB
> files divided into over a dozen sections, such as integral membrane
> proteins, whole virus capsids, anthrax toxins, immuno-molecules, unusual
> tertiary/quaternary structures, and "magnificent molecular machines". Some
>
> small screenshots decorate the Atlas.
>
>
> Nominations of molecules to include in
> the Atlas are welcome. To get to the Atlas, look for the large link at the
>
> bottom of the leftmost gray box on PE's FrontDoor. Or go directly to
> http://www.umass.edu/microbio/chime/beta/pe_alpha/protexpl/atlas.htm
>
> -Improvements in Seq3D: clicking on residues (or ranges) in the sequence
> listing can now highlight the 3D counterparts in all identical chains.
> Both
> the display and color lists now include "no change". Thus, you can
> spacefill
> without changing the color, or change the color but not the rendering.
>
> -New QuickViews color scheme "Chains (PE)" distinguishes chains by color
> more clearly than Chime's built-in scheme, now designated "Chains
> (Chime)".
>
> -Total number of chains is now reported in the Molecule Information
> Window,
> on the Sequences display, and display of the incorrect report from Chime
> in
> the message window is suppressed.
>
> -Troubleshooting is revised, and includes troubleshooting for IE as well
> as
> Netscape, and the 1 gigabyte Macintosh problem.
>
> -Now works just fine on the Macintosh, so although Mac user's can't use
> the
> new Windows-IE compatibility, they can use the new features listed above.
>
> 1.91 and 1.92 alpha have been tested extensively now, and seem to work
> well
> as intended in Windows Internet Explorer as well as Netscape (Windows or
> Macintosh). No major problems have been reported. This version will become
>
> 'beta' after I get around to fixing a few remaining loose ends concerning
> Internet Explorer compatibility, notably the tutorial movies. The plan is
> that later this year, it will mature to version 2.0 and replace the
> ancient
> version 1.0 at the Protein Data Bank.
>
>
>
> /* - - - - - - - - - - - - - - - - - - - - - - - - - - -
> The Protein Explorer: http://proteinexplorer.org
> Workshops: http://www.umass.edu/molvis/workshop
> World Index of Molecular Visualization Resources: http://molvisindex.org
> PDB Lite molecule finder: http://pdblite.org
> Molecular Visualization EMail List:
> http://www.umass.edu/microbio/rasmol/raslist.htm
>
> Eric Martz, Professor (Immunology), Dept Microbiology
> U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
> http://www.umass.edu/molvis/martz
> - - - - - - - - - - - - - - - - - - - - - - - - - - - */
>
>
>
--Boundary_(ID_OEYqnQFKJSEMoV54LCfbIg)
RE: Protein Explorer 1.922 alpha; Atlas of Macromolecules
Eric:
Looks good. I would nominate these for consideration to include:
1. 1qo3 (complex of MHC-I, H-2Dd, and NK inihibitory receptor, Ly49A) (the physiological site now appears to be defined by asymmetry-related element rather than the site seen in the AU)
2. 1efx and 1im9, two examples of KIR2/HLA-C complexes, the first is KIR2DL2/HLA-Cw3 and the second is KIR2DL1/HLA-Cw4
3. finally, 1hyr, 1jfm, and/or 1kcg. All examaples of NKG2D complexed: a) with MICA; b) with RAE-1b; and c) with ULBP
David
----------
From: Eric Martz
Reply To: rasmol@lists.umass.edu
Sent: Monday, February 25, 2002 10:38 AM
To: rasmol@lists.umass.edu
Subject: Protein Explorer 1.922 alpha; Atlas of Macromolecules
I have put Protein Explorer 1.922 alpha on-line, and it is downloadable. In
order to get to this version, go to http://proteinexplorer.org (1.901 beta)
and then click on the big red link "Internet Explorer-compatible upgrade now
available".
New features:
-A new Atlas of Macromolecules, including browsable links to over 70 PDB
files divided into over a dozen sections, such as integral membrane
proteins, whole virus capsids, anthrax toxins, immuno-molecules, unusual
tertiary/quaternary structures, and "magnificent molecular machines". Some
small screenshots decorate the Atlas.
Nominations of molecules to include in
the Atlas are welcome. To get to the Atlas, look for the large link at the
bottom of the leftmost gray box on PE's FrontDoor. Or go directly to
http://www.umass.edu/microbio/chime/beta/pe_alpha/protexpl/atlas.htm
-Improvements in Seq3D: clicking on residues (or ranges) in the sequence
listing can now highlight the 3D counterparts in all identical chains. Both
the display and color lists now include "no change". Thus, you can spacefill
without changing the color, or change the color but not the rendering.
-New QuickViews color scheme "Chains (PE)" distinguishes chains by color
more clearly than Chime's built-in scheme, now designated "Chains (Chime)".
-Total number of chains is now reported in the Molecule Information Window,
on the Sequences display, and display of the incorrect report from Chime in
the message window is suppressed.
-Troubleshooting is revised, and includes troubleshooting for IE as well as
Netscape, and the 1 gigabyte Macintosh problem.
-Now works just fine on the Macintosh, so although Mac user's can't use the
new Windows-IE compatibility, they can use the new features listed above.
1.91 and 1.92 alpha have been tested extensively now, and seem to work well
as intended in Windows Internet Explorer as well as Netscape (Windows or
Macintosh). No major problems have been reported. This version will become
'beta' after I get around to fixing a few remaining loose ends concerning
Internet Explorer compatibility, notably the tutorial movies. The plan is
that later this year, it will mature to version 2.0 and replace the ancient
version 1.0 at the Protein Data Bank.
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
--Boundary_(ID_OEYqnQFKJSEMoV54LCfbIg)--
X-X-Sender:
++++------+------+------+------+------+------+------+------+------+------+
From: southey@ux1.cso.uiuc.edu
Subject: Re: Protein Explorer 1.922 alpha; Atlas of Macromolecules
Date: Mon, 25 Feb 2002 10:39:01 -0600 (CST)
To: rasmol@lists.umass.edu
Hi,
This atlas plus PDB Files link to Don Harden and Dabney Dixon work is a
great addition to finding starting places of useful molecules.
I would suggest the Atlas should at least provide a link to PDB's Molecule
of the month:
http://www.rcsb.org/pdb/molecules/molecule_list.html
David Goodsell has created a really great easy reading resource on
currently 26 molecules (started Jan 2000).
To a lesser extend ExPASy protein spotlight
http://www.expasy.org/spotlight/
Regards,
Bruce Southey
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References:
++++------+------+------+------+------+------+------+------+------+------+
From: "Joseph J. Grabowski"
Subject: Re: Protein Explorer 1.922 alpha; Atlas of Macromolecules
Date: Mon, 25 Feb 2002 12:08:00 -0500
To: rasmol@lists.umass.edu
Matt:
What about TA for the summer?
Cheers,
Joe G.
--
Joseph J. Grabowski
Associate Professor, Department of Chemistry
University of Pittsburgh
Pittsburgh, PA 15260
Home Page: http://www.pitt.edu/~joeg
Phone: 412-624-8632
Fax: 412-624-8611
----------------------------------------------------------
Try not to become a man of success but rather to become a man of value.
-- Albert Einstein
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mistry at ACS Boston meeting
Mark Marten , wentmp@rpi.edu,
"Chemed-L (E-mail)" , southey@ux1.cso.uiuc.edu,
rasmol@lists.umass.edu, "Caldwell, Ben" ,
"\"Grisham, Charles\" <\"Charles M. Grisham\""
,
Chemed-L , PatD@mail.uca.edu,
whitehea@dickinson.edu, bering@mail.clarion.edu, pacsch@rit.edu,
jpowers@kennesaw.edu, taylora@wabash.edu, reingold@juniata.edu,
ssmith@hood.edu, robkires@udmercy.edu, sears@lifesci.ucsb.edu,
Roger_Kaspar@BYU.edu, wscovel@bgnet.bgsu.edu,
"Kim, Tom (E-mail)"
boundary="Boundary_(ID_y89BFvR6yMhdfuwrtqH+jA)"
++++------+------+------+------+------+------+------+------+------+------+
From: "Fisher, Matt"
Subject: call for papers - symposium on bioinformatics in undergrad bioche
Date: Tue, 26 Feb 2002 18:19:13 -0500
To: "Erik J. Fernandez" , Sarah Harcum ,
Cc: "Fisher, Matt (E-mail)"
This message is in MIME format. Since your mail reader does not understand
this format, some or all of this message may not be legible.
--Boundary_(ID_y89BFvR6yMhdfuwrtqH+jA)
Please share this announcement with interested colleagues.
A symposium on "Bioinformatics in the Undergraduate Biochemistry Curriculum"
will be held as part of the American Chemical Society national meeting to be
held in Boston from Sunday, August 18 - Thursday, August 22, 2002
Bioinformatics in the Undergraduate Biochemistry Curriculum
What place does bioinformatics have in undergraduate biochemistry? What is
an appropriate introduction to this topic? How have people incorporated
bioinformatics into undergraduate biochemistry courses (lecture or lab)?
This symposium will bring together individuals involved in bioinformatics
and teachers of undergraduate biochemistry to share ideas, concerns, and
strategies for how this relatively new aspect of modern biochemistry may be
incorporated into the undergraduate curriculum. Matt Fisher, Department of
Chemistry, Saint Vincent College, 300 Fraser Purchase Road, Latrobe, PA
15650, tel: (724) 539-9761 x2356, fax: (724) 537-4554, mfisher@stvincent.edu
No paper abstracts will be accepted. All abstracts go through OASys, the
on-line abstract submission system. To enter OASys, go to
http://oasys.acs.org/oasys.htm , then
select the CHED division. The next screen will display a list of symposia
being held as part of the meeting; click on the bioinformatics symposium and
follow the directions for submitting an abstract.
Questions regarding the symposium can be directed to me.
Thanks!
Matt Fisher
Matthew A. Fisher
Department of Chemistry
Saint Vincent College
300 Fraser Purchase Road
Latrobe, PA 15650
voice: (724) 539-9761 ext. 2356
FAX: (724) 537-4554
mfisher@stvincent.edu
http://facweb.stvincent.edu/chemistry/Fisher.html
--Boundary_(ID_y89BFvR6yMhdfuwrtqH+jA)
Please share this
announcement with interested colleagues.
A symposium on
"Bioinformatics in the Undergraduate Biochemistry Curriculum" will be held as
part of the American Chemical Society national meeting to be held in Boston
from Sunday, August 18 - Thursday, August 22,
2002
Bioinformatics in the Undergraduate Biochemistry
Curriculum
What place does bioinformatics have in
undergraduate biochemistry? What is an appropriate introduction to
this topic? How have people incorporated bioinformatics into undergraduate
biochemistry courses (lecture or lab)? This symposium will bring
together individuals involved in bioinformatics and teachers of undergraduate
biochemistry to share ideas, concerns, and strategies for how
this relatively new aspect of modern biochemistry may be incorporated into
the undergraduate curriculum. Matt Fisher,
Department of Chemistry, Saint Vincent College, 300 Fraser Purchase Road,
Latrobe, PA 15650, tel: (724) 539-9761 x2356, fax: (724) 537-4554, mfisher@stvincent.edu
No paper
abstracts will be accepted. All
abstracts go through OASys, the on-line abstract submission system. To enter OASys, go to http://oasys.acs.org/oasys.htm ,
then select the CHED division. The
next screen will display a list of symposia being held as part of the meeting;
click on the bioinformatics symposium and follow the directions for submitting
an abstract.
Questions regarding the
symposium can be directed to me.
Thanks!
Matt
Fisher
--Boundary_(ID_y89BFvR6yMhdfuwrtqH+jA)--
++++------+------+------+------+------+------+------+------+------+------+
From: Ioannis Michalopoulos
Subject: monitor & restrict
Date: Mon, 04 Mar 2002 18:11:00 +0000
To: RasMol Email List
Dear PDB developers and users,
I have a rasmol script that monitors various atomic interactions:
monitor ### ####
monitor ### ###
monitor #### ###
etc.
In the end, there is a restriction in order to display only the atoms around my
ligand:
restrict within (8.0,lig_ID)
Unfortunately, while Rasmol can efficiently restrict atoms, it still shows all
distances it monitors, even if the atoms participating in these interactions
are out of the restricted space.
I would be indebted if you could tell me if there is any way to restrict the
monitor lines that are outwith the restricted space other than manually
deleting/ commenting/ rewriting these extra "monitor ### ####" lines. If there
is no direct way, is it a lot if I ask you to fix that in the next version?
Thank you inadvance.
Yours Faithfully,
Dr Ioannis Michalopoulos
--
.-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
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`-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
Dr Ioannis Michalopoulos Research Fellow in Bioinformatics
School of Biochemistry and Molecular Biology Tel: +44 113 23 33072
University of Leeds Fax: +44 113 23 33167
Leeds LS2 9JT ioannis@bioinformatics.leeds.ac.uk
UK http://www.bioinformatics.leeds.ac.uk/~ioannis/
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From: Ioannis Michalopoulos
Subject: select special atom
Date: Mon, 04 Mar 2002 18:18:19 +0000
To: RasMol Email List
Dear Rasmol users,
In the PDB files: 1g3l 1g1l 1ker 1keu some heteroatom names in DAU and TRH
ligands are as follows: "O3,", "O4,", "O5,". With that commas these atoms are
distinguished from "O3", "O4", "O5" which are also present in these ligands.
In the case of 1ker, I tried to select "O5" and "O5,". This is what I got:
RasMol> select DAU2573.O5
1 atom selected!
RasMol> select DAU2573.O5,
^
Syntax error in expression!
I tried various things, like
select DAU2573.'O5,'
select DAU2573."O5,"
select DAU2573.[O5,]
which all failed. I wonder if there is any way I can directly select such an
atom, instead of indirectly selecting it by typing:
select DAU2573.O5? and not DAU2573.O5
Thank you in advance.
Best Regards,
Yannis
--
.-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
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`-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
Dr Ioannis Michalopoulos Research Fellow in Bioinformatics
School of Biochemistry and Molecular Biology Tel: +44 113 23 33072
University of Leeds Fax: +44 113 23 33167
Leeds LS2 9JT ioannis@bioinformatics.leeds.ac.uk
UK http://www.bioinformatics.leeds.ac.uk/~ioannis/
.-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
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References: <02030418370701.24558@bmbpcu15>
++++------+------+------+------+------+------+------+------+------+------+
From: Paul Pillot
Subject: Re: select special atom
Date: Mon, 04 Mar 2002 20:15:21 +0100
To: rasmol@lists.umass.edu
It's not a direct answer to your question, but to select a particular atom,
you can
make a selection by using the atom number ID. For example :
RasMol> select atomno= (your atom's number)
My two cents...
Paul Pillot
----- Original Message -----
Sent: Monday, March 04, 2002 7:18 PM
From: "Ioannis Michalopoulos"
Subject: select special atom
To: "RasMol Email List"
> Dear Rasmol users,
>
> In the PDB files: 1g3l 1g1l 1ker 1keu some heteroatom names in DAU and TRH
> ligands are as follows: "O3,", "O4,", "O5,". With that commas these atoms
are
> distinguished from "O3", "O4", "O5" which are also present in these
ligands.
>
> In the case of 1ker, I tried to select "O5" and "O5,". This is what I got:
>
> RasMol> select DAU2573.O5
> 1 atom selected!
> RasMol> select DAU2573.O5,
> ^
> Syntax error in expression!
>
> I tried various things, like
>
> select DAU2573.'O5,'
>
> select DAU2573."O5,"
>
> select DAU2573.[O5,]
>
> which all failed. I wonder if there is any way I can directly select such
an
> atom, instead of indirectly selecting it by typing:
>
> select DAU2573.O5? and not DAU2573.O5
>
> Thank you in advance.
>
> Best Regards,
>
> Yannis
> --
> .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
> /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\
> X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X
> `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
> Dr Ioannis Michalopoulos Research Fellow in Bioinformatics
> School of Biochemistry and Molecular Biology Tel: +44 113 23 33072
> University of Leeds Fax: +44 113 23 33167
> Leeds LS2 9JT ioannis@bioinformatics.leeds.ac.uk
> UK http://www.bioinformatics.leeds.ac.uk/~ioannis/
> .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
> /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\
> X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X
> `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
>
>
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From: =?iso-8859-1?q?Frederic=20Zilbermann?=
Subject: Vectorial output
Date: Mon, 18 Mar 2002 09:28:39 +0100 (CET)
To: Liste Rasmol
Hello everybody,
First let me introduce myself : I'm a French research
technician, working in the University of Montpellier,
south of France.
I'm actually working in a project which aims to
provide multimedia biochemstry courses, by the way of
internet and on the CD support. For this I have to
make animations with Macromedia Flash 5. I often have
to import in Flash pictures of molecules I got with
Rasmol. The only problem is Flash is vectorial and my
goal is to obtain vectorial pictures of these
molecules, so their integrations in Flash will be much
easier and the animations would look ok. As far as I
tried, I only got bitmap (raster) pictures of
molecules with rasmol.
Is there a way to get vectorial pictures with Rasmol ?
Or maybe with another molecule viewer ?
Thanks for your answers
Fred Zilbermann, Université Montpellier II, Montpellier
___________________________________________________________
Do You Yahoo!? -- Une adresse @yahoo.fr gratuite et en français !
Yahoo! Mail : http://fr.mail.yahoo.com
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Errors-to: Postmaster@kumc.edu
Content-disposition: inline
++++------+------+------+------+------+------+------+------+------+------+
From: George Helmkamp
Subject: Re: Vectorial output (on extended leave)
Date: Mon, 18 Mar 2002 02:30:37 -0600
To: rasmol@lists.umass.edu
I am currently away from my office and laboratory. If you need to communicate with a laboratory person, please contact Ms. Hong Li at hli@kumc.edu or Ms. Elizabeth Miller at emiller5@kumc.edu. The telephone number is 913.588.6958. Thank you.
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++++------+------+------+------+------+------+------+------+------+------+
From: "James W. Caras"
Subject: Re: Vectorial output
Date: Mon, 18 Mar 2002 10:30:29 -0600
To: rasmol@lists.umass.edu
Hi Fred,
RasMol supports the export of vector images as postscript files. Although I
have not tried to open the resulting files in Flash, programs like
Illustrator and Freehand do so nicely and I would anticipate Flash will as
well (if it doesn't, you could always save as a flash-compatible file from
within the other vector programs).
There is one thing you should be aware of... In my experience, the
postscript export in RasMol only works for some display types, such as Ball
& Stick (I would think therefore wireframe and spacefill would work as
well). I do not believe that ribbon, cartoon, etc. work for this, but try
it, I could be wrong.
Jamie
On 3/18/02 2:28 AM, "Frederic Zilbermann" wrote:
> Hello everybody,
>
> First let me introduce myself : I'm a French research
> technician, working in the University of Montpellier,
> south of France.
>
> I'm actually working in a project which aims to
> provide multimedia biochemstry courses, by the way of
> internet and on the CD support. For this I have to
> make animations with Macromedia Flash 5. I often have
> to import in Flash pictures of molecules I got with
> Rasmol. The only problem is Flash is vectorial and my
> goal is to obtain vectorial pictures of these
> molecules, so their integrations in Flash will be much
> easier and the animations would look ok. As far as I
> tried, I only got bitmap (raster) pictures of
> molecules with rasmol.
>
> Is there a way to get vectorial pictures with Rasmol ?
> Or maybe with another molecule viewer ?
>
> Thanks for your answers
>
> Fred Zilbermann, Université Montpellier II, Montpellier
>
> ___________________________________________________________
> Do You Yahoo!? -- Une adresse @yahoo.fr gratuite et en français !
> Yahoo! Mail : http://fr.mail.yahoo.com
>
>
,-. ,-. ,-. ,-. ,-. ,-. ,-. ,-. ,-. ,-.
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`-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
Dr. James Caras
The Institute for Cellular and Molecular Biology
The University of Texas at Austin
MBB 3.122
2500 Speedway
Austin, TX 78712
caras@mail.utexas.edu
(512) 471-0416
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From: Fergus Doherty
Subject: Problem selecting numbered chains
Date: Fri, 22 Mar 2002 15:01:13 +0000
To: rasmol@lists.umass.edu
Hello all,
A PDB file for the proteasome gives letters to chains, except for two
which are numbered (there are 28 subunits). It doesn't seem possible
to select the numbered chains as "select *1" selects residue 1 in all
chains, as does "select 1". Any ideas.
Apart from editing the file that is. If it has to be edited what
characters could be used to replace the 1 and 2? Would any ASCII
character do?
--
_____________________________________________________________________
Fergus Doherty PhD,
School of Biomedical Sciences,
E66,
University Medical School,
Queen's Medical Centre,
Nottingham NG7 2UH
mailto:Fergus.Doherty@nottingham.ac.uk
Tel: 0115 970 9366
FAX: 0115 970 9969
Teaching URL: http://www.nottingham.ac.uk/biochemcourses
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++++------+------+------+------+------+------+------+------+------+------+
From: Marv Paule
Subject: Re: Problem selecting numbered chains
Date: Fri, 22 Mar 2002 09:06:42 -0700
To: rasmol@lists.umass.edu
Don't you need a colon in front of the number?
select :1
Marv Paule
Fergus Doherty wrote:
> Hello all,
> A PDB file for the proteasome gives letters to chains, except for two
> which are numbered (there are 28 subunits). It doesn't seem possible
> to select the numbered chains as "select *1" selects residue 1 in all
> chains, as does "select 1". Any ideas.
>
> Apart from editing the file that is. If it has to be edited what
> characters could be used to replace the 1 and 2? Would any ASCII
> character do?
> --
>
> _____________________________________________________________________
> Fergus Doherty PhD,
> School of Biomedical Sciences,
> E66,
> University Medical School,
> Queen's Medical Centre,
> Nottingham NG7 2UH
>
> mailto:Fergus.Doherty@nottingham.ac.uk
> Tel: 0115 970 9366
> FAX: 0115 970 9969
> Teaching URL: http://www.nottingham.ac.uk/biochemcourses
>
--
Marvin R. Paule
Professor
Department of Biochemistry and Molecular Biology
Colorado State University
Fort Collins, CO 80523-1870
phone: 970-491-6748
FAX: 970-491-0494
email: mpaule@lamar.colostate.edu
internet: http://www.bmb.colostate.edu/people/faculty/paule.htm
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++++------+------+------+------+------+------+------+------+------+------+
From: phil cunningham
Subject: Inter atom distances
Date: Mon, 25 Mar 2002 08:38:40 +0000
To: rasmol@lists.umass.edu
Dear RasMol list
Can any of you point me to a script (sed auk perl)to
compute interatomic distances from PDB files? (and a
wee discussion on the formula if possible)
Cant believe there are not dozens out there!!
Phil
----------------------
Phil Cunningham
Senior Bioinformatics Officer
King's College London
Franklin Wilkins Building
150 Stamford Street
London SE1 9NN
tel 020 7848 4239
fax 020 7848 4290
email phil.cunningham@kcl.ac.uk
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++++------+------+------+------+------+------+------+------+------+------+
From: Mario Albrecht
Subject: Inter atom distances, part 2
Date: Mon, 25 Mar 2002 11:54:49 +0100
To: rasmol@lists.umass.edu
On Mon, 25 Mar 2002, phil cunningham wrote:
> Dear RasMol list
> Can any of you point me to a script (sed auk perl)to
> compute interatomic distances from PDB files? (and a
> wee discussion on the formula if possible)
> Cant believe there are not dozens out there!!
Additionally, does anyone know a web server or
script that can compute the protein "diameter", that is,
the maximum Calpha and/or Cbeta distance, of a PDB chain?
Thanks,
Mario
--
************************************************************************
* Mario Albrecht (Office telephone: ++49 (0)2241-14-2806)*
* Address: Am Jesuitenhof 3, App. 1363 / 53117 Bonn / GERMANY *
* (Home: Lortzingstr. 5 / 92665 Altenstadt / GERMANY) *
* Telephone: ++49 (0)228-9675049 (Home: ++49 (0)9602-4231) *
* E-mail: mario@albrecht.net, mario.albrecht@gmx.de *
************************************************************************
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From: christian.simon@ppce.jussieu.fr (Christian Simon)
Subject: Re: Inter atom distances
Date: Mon, 25 Mar 2002 14:41:07 +0100 (FRA Hiver)
To: rasmol@lists.umass.edu
Dear Phil,
> Can any of you point me to a script (sed auk perl)to
> compute interatomic distances from PDB files? (and a
What do you want to do exactly ? To compute the distances for all pairs ?
Or just for a one or two ?
Do you want to apply PBC ?
How big is your PDB file (how many atoms, and thus how many pairs) ?
Do you want instantaneous result (or can you wait several minutes ?)
> wee discussion on the formula if possible)
> Cant believe there are not dozens out there!!
> Phil
Depending on your answers, it can be very easy (and it does not deserve
to be on the web)... or very difficult (maybe no one solved it with
sed/awk/perl/Tcl or any scripting language...)
--
Christian SIMON
The Center for Molecular Modeling (CMM, Rm. 141A)
University of Pennsylvania, Tel: (215)-898-1583
Department of Chemistry, Box 127 Fax: (215)-573-6233
231 S. 34th St.
Philadelphia, PA 19104-6323 USA
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References: <3C9F01F9.D013E2F2@mario-albrecht.net>
++++------+------+------+------+------+------+------+------+------+------+
From: Marv Paule
Subject: Re: Inter atom distances, part 2
Date: Mon, 25 Mar 2002 11:23:36 -0700
To: rasmol@lists.umass.edu
Mario,
The command is
monitor atomno atomno
You first select the two atoms whose distance apart you need to measure,
then issue the command with the two numbers only.
e.g. monitor 2882 300
You can then get rid of the measurements and the dotted lines between the
atoms with the command
monitors off
Hope this helps.
Marv Paule
Mario Albrecht wrote:
> On Mon, 25 Mar 2002, phil cunningham wrote:
>
> > Dear RasMol list
> > Can any of you point me to a script (sed auk perl)to
> > compute interatomic distances from PDB files? (and a
> > wee discussion on the formula if possible)
> > Cant believe there are not dozens out there!!
>
> Additionally, does anyone know a web server or
> script that can compute the protein "diameter", that is,
> the maximum Calpha and/or Cbeta distance, of a PDB chain?
>
> Thanks,
>
> Mario
>
> --
> ************************************************************************
> * Mario Albrecht (Office telephone: ++49 (0)2241-14-2806)*
> * Address: Am Jesuitenhof 3, App. 1363 / 53117 Bonn / GERMANY *
> * (Home: Lortzingstr. 5 / 92665 Altenstadt / GERMANY) *
> * Telephone: ++49 (0)228-9675049 (Home: ++49 (0)9602-4231) *
> * E-mail: mario@albrecht.net, mario.albrecht@gmx.de *
> ************************************************************************
>
--
Marvin R. Paule
Professor
Department of Biochemistry and Molecular Biology
Colorado State University
Fort Collins, CO 80523-1870
phone: 970-491-6748
FAX: 970-491-0494
email: mpaule@lamar.colostate.edu
internet:
http://www.bmb.colostate.edu/faculty_detailed.cfm?lastname=Paule&firstname=Marvin
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From: Eric Martz
Subject: Chime in linux w/ WINE?
Date: Mon, 01 Apr 2002 12:57:53 -0500
To: rasmol@lists.umass.edu
Has anyone tried running Chime under WINE in linux (or any other flavor of
unix)? http://www.winehq.com
I'd be very interested in the results, particularly whether Protein
Explorer (PE) can be run under WINE.
For other solutions, please see http://molvis.sdsc.edu/protexpl/platform.htm
They include Win4Lin, VMWare, and Citrix Metaframe (known to support PE),
and Codeweaver's Crossover (uncertain).
-Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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References: <200204011759.g31HxA224910@marlin.bio.umass.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: "Ron Worthington, Ph.D."
Subject: Re: Chime in linux w/ WINE?
Date: Mon, 01 Apr 2002 12:06:01 -0600
To: rasmol@lists.umass.edu
Hi,
Chime works great under RedHat-7.2:
Linux worms 2.4.9-31smp #1 SMP Tue Feb 26 05:55:20 EST 2002 i686 unknown
after installation using the crossover software from Code Weavers.
Protein Explorer works with the plug-in then running under WINE, but
tends to hang more often than on Macintosh OS 9.2.2.
-Ron
Eric Martz wrote:
>Has anyone tried running Chime under WINE in linux (or any other flavor of
>unix)? http://www.winehq.com
>
>I'd be very interested in the results, particularly whether Protein
>Explorer (PE) can be run under WINE.
>For other solutions, please see http://molvis.sdsc.edu/protexpl/platform.htm
>They include Win4Lin, VMWare, and Citrix Metaframe (known to support PE),
>and Codeweaver's Crossover (uncertain).
>
>-Eric
>
>
>/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
>The Protein Explorer: http://proteinexplorer.org
>Workshops: http://www.umass.edu/molvis/workshop
>World Index of Molecular Visualization Resources: http://molvisindex.org
>PDB Lite molecule finder: http://pdblite.org
>Molecular Visualization EMail List:
> http://www.umass.edu/microbio/rasmol/raslist.htm
>
>Eric Martz, Professor (Immunology), Dept Microbiology
>U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
> http://www.umass.edu/molvis/martz
>- - - - - - - - - - - - - - - - - - - - - - - - - - - */
>
>
>
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From: agc
Subject: Re: Chime in linux w/ WINE?
Date: Mon, 01 Apr 2002 13:41:24 -0500 (EST)
To: rasmol@lists.umass.edu
I have used wine for running chime, I use under windows netscape 4.7, my
linux box is SUSE 7.3, I have seen it is a little bit slower than usual
but works fine.
On Mon, 1 Apr 2002, Eric Martz wrote:
> Date: Mon, 01 Apr 2002 12:57:53 -0500
> From: Eric Martz
> To: rasmol@lists.umass.edu
> Subject: Chime in linux w/ WINE?
>
> Has anyone tried running Chime under WINE in linux (or any other flavor of
> unix)? http://www.winehq.com
>
> I'd be very interested in the results, particularly whether Protein
> Explorer (PE) can be run under WINE.
> For other solutions, please see http://molvis.sdsc.edu/protexpl/platform.htm
> They include Win4Lin, VMWare, and Citrix Metaframe (known to support PE),
> and Codeweaver's Crossover (uncertain).
>
> -Eric
>
>
> /* - - - - - - - - - - - - - - - - - - - - - - - - - - -
> The Protein Explorer: http://proteinexplorer.org
> Workshops: http://www.umass.edu/molvis/workshop
> World Index of Molecular Visualization Resources: http://molvisindex.org
> PDB Lite molecule finder: http://pdblite.org
> Molecular Visualization EMail List:
> http://www.umass.edu/microbio/rasmol/raslist.htm
>
> Eric Martz, Professor (Immunology), Dept Microbiology
> U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
> http://www.umass.edu/molvis/martz
> - - - - - - - - - - - - - - - - - - - - - - - - - - - */
>
>
>
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++++------+------+------+------+------+------+------+------+------+------+
From: WZocher@t-online.de (Wolfgang Zocher)
Subject: 24-bit display
Date: Mon, 08 Apr 2002 19:34:45 +0200
To: rasmol@lists.umass.edu
Hi all,
I'm trying to get rasmol-2.7 running on a laptop with a 24-bit display
(under SuSE Linux 7.2) and it won't work. There are no colours and kind
of weird structures on the screen - did anyone have success in trying
the same??
Thanks in advance,
Wolfgang Zocher
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X-MIMEOLE: Produced By Microsoft Exchange V6.0.5762.3
Thread-Topic: MacOSX and chime
Thread-Index: AcHfNkBZgRnvv973EcG3FCLjfaqk3A==
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++++------+------+------+------+------+------+------+------+------+------+
From: "Campbell, Malcolm"
Subject: MacOSX and chime
Date: Mon, 08 Apr 2002 15:47:44 -0400
To: rasmol@lists.umass.edu
RasMol Readers:
I am new to the list but I did not see any answers when I checked the archives.
Are there any fixes for Mac Users who want to use chime running OSX without having to boot Classic OS 9.2?
Thanks,
Malcolm
------------------------------------------------------
A. Malcolm Campbell, Ph.D. Associate Professor of Biology
Director of the Genome Consortium for Active Teaching
(http://www.bio.davidson.edu/GCAT)
Biology Department
P. O. Box 7118 (US Mail)
225 Concord Rd (Shipping)
Davidson, NC 28036 USA
macampbell@davidson.edu
http://www.bio.davidson.edu/campbell
704-894-2692 (voice)
704-894-2512 (fax)
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<20020408163118-r01050000-9475FE7C-4B2F-11D6-880C-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Re: MacOSX and chime
Date: Mon, 08 Apr 2002 16:31:17 -0400
To: rasmol@lists.umass.edu
here's what Campbell, Malcolm (macampbell@davidson.edu) said on 04.08.02 (3:47
PM):
> RasMol Readers:
> I am new to the list but I did not see any answers when I checked the archives.
>
> Are there any fixes for Mac Users who want to use chime running OSX without
having to boot Classic OS 9.2?
>
> Thanks,
> Malcolm
>
unfortunately, there is not, although Chime in the Classic environment runs as
well as it does in stand-alone OS 9. IOW, there are no new bugs ;-)
OS X is known to run many unix programs without problems; I'm reaching a bit, but
it makes me think there could be a linux solution. for a starting point, try Eric
Martz's doc at .
I have no direct experience with running linux software under OS X, though, so
YMMV. if you do discover a work-around, I'm sure that the list would be
interested in hearing of it.
hth,
tim
--
molvisions - 3D molecular visualization
waltham, ma usa
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<"20020408163118-r01050000-9475FE7C-4B2F-11D6-880C-003065DFD 8FC-1013-010c"@192.168.1.13>
References: <4AE8AED63DA0244FA26B3EE309675DD40148BBB9@lola.davidson.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: Re: MacOSX and chime
Date: Mon, 08 Apr 2002 18:23:44 -0400
To: rasmol@lists.umass.edu
At 4/8/02, Tim Driscoll wrote:
>OS X is known to run many unix programs without problems; I'm reaching a
bit, but
>it makes me think there could be a linux solution. for a starting point,
try Eric
>Martz's doc at .
I have no idea what IOW and YMMV are, but for a more recently updated list
of linux options for Chime, please see
http://molvis.sdsc.edu/protexpl/platform.htm
-Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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<20020408193524-r01050000-4CDCF7F2-4B49-11D6-880C-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Re: MacOSX and chime
Date: Mon, 08 Apr 2002 19:35:24 -0400
To: rasmol@lists.umass.edu
here's what Eric Martz (emartz@microbio.umass.edu) said on 04.08.02 (6:23 PM):
> At 4/8/02, Tim Driscoll wrote:
> >OS X is known to run many unix programs without problems; I'm reaching a
> bit, but
> >it makes me think there could be a linux solution. for a starting point,
> try Eric
> >Martz's doc at .
>
> I have no idea what IOW and YMMV are, but for a more recently updated list
> of linux options for Chime, please see
> http://molvis.sdsc.edu/protexpl/platform.htm
>
> -Eric
>
>
er, sorry. YMMV - your mileage may vary; IOW = in other words.
-tim
--
molvisions - 3D molecular visualization
waltham, ma usa
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References: <3CB1D4B5.7010208@t-online.de>
++++------+------+------+------+------+------+------+------+------+------+
From: Karl Sarnow
Subject: Re: 24-bit display
Date: Tue, 09 Apr 2002 09:17:37 +0200
To: rasmol@lists.umass.edu
Wolfgang Zocher wrote:
> Hi all,
>
> I'm trying to get rasmol-2.7 running on a laptop with a 24-bit display
> (under SuSE Linux 7.2) and it won't work. There are no colours and kind
> of weird structures on the screen - did anyone have success in trying
> the same??
>
> Thanks in advance,
>
> Wolfgang Zocher
>
Since SuSE 7.2 there should be no problem. If you get it started without
an error message, this is OK. But the version distributed with SuSE 7.2
is compiled for a 16 Bit display. At least it is this what I am reading
when I start it.
CU
Karl Sarnow
--
Dr. Karl Sarnow
Teacher at Gymnasium Isernhagen
German national co-ordinator of the European Schools Project
e-Mail: karl@dadoka.h.ni.schule.de
URL: http://www.shuttle.schule.de/h/dadoka
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From: Todd Carlson
Subject: sprout hydrogens in Chime
Date: Wed, 10 Apr 2002 16:27:12 -0400
To: rasmol@lists.umass.edu
Hi
I wanted to use the sprout hydrogens feature in a Chime page. The mouse
menu button works, but the embed tag:
options3d=hydrogen
which I got from the MDL support site doesn't work. However, other
option3d tags:
options3d={dots|hetero|hydrogen|labels|shadows|slab|specular|stereo}
do work. Is there any way to do this? A sript command maybe?
Thanks
Todd Carlson
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References: <3CB4A01F.75EC7E00@gvsu.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: Marv Paule
Subject: Re: sprout hydrogens in Chime
Date: Wed, 10 Apr 2002 17:25:50 -0600
To: rasmol@lists.umass.edu
Did you try "sprout hydrogens" ?
Todd Carlson wrote:
> Hi
>
> I wanted to use the sprout hydrogens feature in a Chime page. The mouse
> menu button works, but the embed tag:
>
> options3d=hydrogen
>
> which I got from the MDL support site doesn't work. However, other
> option3d tags:
>
> options3d={dots|hetero|hydrogen|labels|shadows|slab|specular|stereo}
>
> do work. Is there any way to do this? A sript command maybe?
>
> Thanks
>
> Todd Carlson
>
--
Marvin R. Paule
Professor
Department of Biochemistry and Molecular Biology
Colorado State University
Fort Collins, CO 80523-1870
phone: 970-491-6748
FAX: 970-491-0494
email: mpaule@lamar.colostate.edu
internet:
http://www.bmb.colostate.edu/faculty_detailed.cfm?lastname=Paule&firstname=Marvin
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++++------+------+------+------+------+------+------+------+------+------+
From: Todd Carlson
Subject: Re: sprout hydrogens in Chime
Date: Thu, 11 Apr 2002 08:52:42 -0400
To: rasmol@lists.umass.edu
Yes, I tried that.
Todd
>>> mpaule@lamar.colostate.edu 04/10/02 07:25PM >>>
Did you try "sprout hydrogens" ?
Todd Carlson wrote:
> Hi
>
> I wanted to use the sprout hydrogens feature in a Chime page. The mouse
> menu button works, but the embed tag:
>
> options3d=hydrogen
>
> which I got from the MDL support site doesn't work. However, other
> option3d tags:
>
> options3d={dots|hetero|hydrogen|labels|shadows|slab|specular|stereo}
>
> do work. Is there any way to do this? A sript command maybe?
>
> Thanks
>
> Todd Carlson
>
--
Marvin R. Paule
Professor
Department of Biochemistry and Molecular Biology
Colorado State University
Fort Collins, CO 80523-1870
phone: 970-491-6748
FAX: 970-491-0494
email: mpaule@lamar.colostate.edu
internet:
http://www.bmb.colostate.edu/faculty_detailed.cfm?lastname=Paule&firstname=Marvin
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From: Eric Martz
Subject: selecting residues with insertion codes
Date: Sat, 13 Apr 2002 13:14:08 -0400
To: rasmol@lists.umass.edu
Dear RasMolluscs and Chimeleons (especially RasMolluscs familiar with the
source code):
The residues in some PDB files are numbered to match a related reference
molecule. Inserted residues are then often numbered with the SAME number as
the previous residue, distinguished only by a so-called insertion code or
iCode letter following the residue number, e.g. 82, 82A, 82B, etc. An
example is 1IGY. (In Protein Explorer, click Molecule Information/Mol Info,
then Sequences to see the inserted residues highlighted in green.)
Fabian Glaser and Nir Ben-Tal have recently pointed out to me 1UCY. It has
inserted residues before residue 1. In some cases, authors give these
negative and zero residue numbers, then continuing with 1 (e.g. 1AVQ).
However in 1UCY, the leading inserted residues are numbered with an
alternative scheme, 1H, 1G, 1F, 1E, 1D, 1C, 1B, 1A, and 1 (in reverse
alphabetical order). [Protein Explorer assumes the letters are in
alphabetical order and does NOT display these residue iCodes correctly, as
they appear in the ATOM records of 1UCY.] Insertions after residue 1 are
coded in alphabetical order in 1UCY.
Finally, the questions:
1. In RasMol 2.6b2a, 'show residue' omits the iCodes. In Chime, neither
'show sequence' nor 'show residue' includes the iCode. I suspect RasMol and
Chime are ignoring iCodes when they read ATOM records. ***Confirmation of
this by someone familiar with the RasMol source code would be appreciated.***
2. In RasMol or Chime, is there any way to select a single inserted
residue, for example, Thr14B in 1UCY? 'select thr14b' doesn't work, nor
'select 14b'. The first residue (lacking an iCode) can be selected, e.g.
'select asp14', provided there are no other thr's numbered 14. 'select 1'
selects all residues numbered one including all inserted residues with that
number. You can select gln14a with 'select gln14 and :l' because it is the
only gln numbered 14 in chain L. However, since there are 3 glu's inserted
after 14 (14C, 14E, 14H), you get all 3 with 'select glu14 and :l'. Of
course you could use the atom serial numbers but that would be very
cumbersome. [Presently, Protein Explorer's Seq3D interface (where a click
on a residue selects it) fails to work for inserted residues.]
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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<20020413163616-r01050000-1A757D54-4F1E-11D6-8BA4-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Chime animations to video?
Date: Sat, 13 Apr 2002 16:36:16 -0400
To: "LIST: rasmol"
hello all,
I'm interested in converting Chime animations to standard video format (mov,
mpg, avi, whatever). I imagine it would require some software capable of
capturing desktop events - akin to Grab or Screen Capture, but able to
capture at some decent fps.
has anyone ever done this, or know of software that might handle the task?
thanks,
tim
--
molvisions - 3D molecular visualization
waltham, ma usa
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References: <200204131714.g3DHEL222216@marlin.bio.umass.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: "Herbert J. Bernstein"
Subject: Re: selecting residues with insertion codes
Date: Sat, 13 Apr 2002 19:27:37 -0400
To: rasmol@lists.umass.edu
At present the only significant use that RasMol makes of the
insertion code is to start a new residue when the insertion code (or
the residue number) changes. When you pick an atom, the insertion
code is displayed (at least in the current version). RasMol can be
changed to make more use of the insertion code, if there is a need.
I will try work up a reasonable, upwards compatible syntax for
selection by insertion code. Until and unless Chime becomes open
source, I cannot make the equivalent change in Chime.
-- Herbert
At 1:14 PM -0400 4/13/02, Eric Martz wrote:
>Dear RasMolluscs and Chimeleons (especially RasMolluscs familiar with the
>source code):
>
>The residues in some PDB files are numbered to match a related reference
>molecule. Inserted residues are then often numbered with the SAME number as
>the previous residue, distinguished only by a so-called insertion code or
>iCode letter following the residue number, e.g. 82, 82A, 82B, etc. An
>example is 1IGY. (In Protein Explorer, click Molecule Information/Mol Info,
>then Sequences to see the inserted residues highlighted in green.)
>
>Fabian Glaser and Nir Ben-Tal have recently pointed out to me 1UCY. It has
>inserted residues before residue 1. In some cases, authors give these
>negative and zero residue numbers, then continuing with 1 (e.g. 1AVQ).
>However in 1UCY, the leading inserted residues are numbered with an
>alternative scheme, 1H, 1G, 1F, 1E, 1D, 1C, 1B, 1A, and 1 (in reverse
>alphabetical order). [Protein Explorer assumes the letters are in
>alphabetical order and does NOT display these residue iCodes correctly, as
>they appear in the ATOM records of 1UCY.] Insertions after residue 1 are
>coded in alphabetical order in 1UCY.
>
>Finally, the questions:
>
>1. In RasMol 2.6b2a, 'show residue' omits the iCodes. In Chime, neither
>'show sequence' nor 'show residue' includes the iCode. I suspect RasMol and
>Chime are ignoring iCodes when they read ATOM records. ***Confirmation of
>this by someone familiar with the RasMol source code would be appreciated.***
>
>2. In RasMol or Chime, is there any way to select a single inserted
>residue, for example, Thr14B in 1UCY? 'select thr14b' doesn't work, nor
>'select 14b'. The first residue (lacking an iCode) can be selected, e.g.
>'select asp14', provided there are no other thr's numbered 14. 'select 1'
>selects all residues numbered one including all inserted residues with that
>number. You can select gln14a with 'select gln14 and :l' because it is the
>only gln numbered 14 in chain L. However, since there are 3 glu's inserted
>after 14 (14C, 14E, 14H), you get all 3 with 'select glu14 and :l'. Of
>course you could use the atom serial numbers but that would be very
>cumbersome. [Presently, Protein Explorer's Seq3D interface (where a click
>on a residue selects it) fails to work for inserted residues.]
>
>
>/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
>The Protein Explorer: http://proteinexplorer.org
>Workshops: http://www.umass.edu/molvis/workshop
>World Index of Molecular Visualization Resources: http://molvisindex.org
>PDB Lite molecule finder: http://pdblite.org
>Molecular Visualization EMail List:
> http://www.umass.edu/microbio/rasmol/raslist.htm
>
>Eric Martz, Professor (Immunology), Dept Microbiology
>U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
> http://www.umass.edu/molvis/martz
>- - - - - - - - - - - - - - - - - - - - - - - - - - - */
>
--
=====================================================
Herbert J. Bernstein, Professor of Computer Science
Dowling College, Kramer Science Center, KSC 020
Idle Hour Blvd, Oakdale, NY, 11769
+1-631-244-3035
yaya@dowling.edu
=====================================================
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References:
<20020413163616-r01050000-1A757D54-4F1E-11D6-8BA4-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: "William F. Coleman"
Subject: Re: Chime animations to video?
Date: Sat, 13 Apr 2002 20:09:03 -0400
To: rasmol@lists.umass.edu
I do this using SnagIt (version 6) from www.techsmith.com - it does an
very good job of capturing screen motion - adjustable capture rates etc.
The default is to avi and I then usually go into either something like
Animation Shop if I want it as an animated gif or Flix2, if I want it in
Flash format.
Hope this helps,
Flick
William F. Coleman
(a.k.a. Flick Coleman)
Professor of Chemistry
Wellesley College
Wellesley, MA 02481
for the period 12/01-7/02
Visiting Professor of Chemistry
Department of Chemistry
University of Wisconsin - Madison
1101 University Avenue
Madison WI 53706
608-262-1511
email: wcoleman@wellesley.edu
web: www.wellesley.edu/Chemistry/colemanw.html
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++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Re: Chime animations to video?
Date: Sun, 14 Apr 2002 08:23:39 -0400
To: rasmol@lists.umass.edu
William F. Coleman at said:
> I do this using SnagIt (version 6) from www.techsmith.com - it does an
> very good job of capturing screen motion - adjustable capture rates etc.
> The default is to avi and I then usually go into either something like
> Animation Shop if I want it as an animated gif or Flix2, if I want it in
> Flash format.
>
> Hope this helps,
>
> Flick
>
>
> I wrote:
> >
> > hello all,
> >
> > I'm interested in converting Chime animations to standard video format
> > (mov, mpg, avi, whatever). I imagine it would require some software
> > capable of capturing desktop events - akin to Grab or Screen Capture,
> > but able to capture at some decent fps.
> >
> > has anyone ever done this, or know of software that might handle the
> > task?
> >
> > thanks,
> >
> > tim
hi Flick,
thanks for responding. unfortunately, SnagIt only captures still images,
and it is limited to Win. I'm trying to capture animations (movies), and
I'm on a Mac (sorry - I should have said that in the beginning).
TechSmith's Camtasia does capture video from the desktop but it is $$$,
fairly high-end, and Win platform only. I can get around 1 and 2, but not
3. do you know of a Mac-side relative?
regards,
tim
--
molvisions - 3D molecular visualization
waltham, ma usa
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<20020414114654-r01050000-D87BE4BA-4FBE-11D6-A8D6-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Re: Chime animations to video?
Date: Sun, 14 Apr 2002 11:46:54 -0400
To: rasmol@lists.umass.edu
Timothy Driscoll at said:
> William F. Coleman at said:
>
> > I do this using SnagIt (version 6) from www.techsmith.com - it does an
> > very good job of capturing screen motion - adjustable capture rates etc.
> > The default is to avi and I then usually go into either something like
> > Animation Shop if I want it as an animated gif or Flix2, if I want it in
> > Flash format.
> >
> > Hope this helps,
> >
> > Flick
> >
> >
> > I wrote:
> > >
> > > hello all,
> > >
> > > I'm interested in converting Chime animations to standard video format
> > > (mov, mpg, avi, whatever). I imagine it would require some software
> > > capable of capturing desktop events - akin to Grab or Screen Capture,
> > > but able to capture at some decent fps.
> > >
> > > has anyone ever done this, or know of software that might handle the
> > > task?
> > >
> > > thanks,
> > >
> > > tim
>
> hi Flick,
>
> thanks for responding. unfortunately, SnagIt only captures still images,
> and it is limited to Win. I'm trying to capture animations (movies), and
> I'm on a Mac (sorry - I should have said that in the beginning).
>
> TechSmith's Camtasia does capture video from the desktop but it is $$$,
> fairly high-end, and Win platform only. I can get around 1 and 2, but not
> 3. do you know of a Mac-side relative?
>
> regards,
>
> tim
hello again,
1. Flick, my apologies for contradicting you so blatantly, and somewhat
rudely. I plead pre-coffee fog, and ask forgiveness. what I meant to say
was that I am confused. I do know about SnagIt but, as far as I could tell
from their Web site, it only captures screenshots and not video. can it
capture desktop events directly as video (as distinct from video imported
from a digital camcorder, for example)? if so, is it a straight capture,
like a screen grab, or do you have to catch frame-by-frame? I do have
access to a Win machine, but it's a last resort for me ;-) again, my
apologies for being rude - I hope you find this response a bit more
respectful.
2. for those interested, an answer to my own question about a Mac version.
there is a program called SnapzPro ( that
advertises the ability to capture desktop events to QT. I've read through
their site, but there is little in the way of details about this feature.
but it is only $50 so may be worth the leap.
this thread may seem a bit OT; after all, converting Chime into QT is a step
backward, in my estimation (you lose all the interactivity). however, QTed
Chimes make for great teaser material, since almost everyone is set up to
view movies. in addition, it would provide one possible method (albeit
kludgy) for combining Chime material with other formats (Flash, Director,
etc.).
regards,
tim (now suitably caffienated)
--
molvisions - 3D molecular visualization
waltham, ma usa
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References:
<20020414114654-r01050000-D87BE4BA-4FBE-11D6-A8D6-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: rbeaver@tsud.edu
Subject: Re: Chime animations to video?
Date: Sun, 14 Apr 2002 11:17:01 -0500
To: rasmol@lists.umass.edu
>
>2. for those interested, an answer to my own question about a Mac version.
>there is a program called SnapzPro ( that
>advertises the ability to capture desktop events to QT. I've read through
>their site, but there is little in the way of details about this feature.
>but it is only $50 so may be worth the leap.
>
Snapz Pro is great. The download is free for thirty days (and even
after continues to work, albeit with a nag screen, so you can give it
a thorough testing). It can capture a window, a selected portion of
the screen, or the whole screen, and allows total control over frame
rate, compression, and lots of other stuff.
There are a bunch of QuickTime Photoshop tutorials (with narration)
at the Apple web site (url below) that illustrate what Snapz Pro can
do (I am not certain that they were created with SnapZ Pro, but I
would bet on it, and they are exactly what Snapz Pro is capable of
doing and they look really good).
http://www.apple.com/creative/resources/ttphotoshop/
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References:
<20020413163616-r01050000-1A757D54-4F1E-11D6-8BA4-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: Dave Hurley
Subject: Re: Chime animations to video?
Date: Mon, 15 Apr 2002 09:34:02 -0700
To: rasmol@lists.umass.edu
I did this a few times and ended up using a combination of
AppleScript, Prefab Player (which enables AppleScript to drive mouse
movement and menu choices) and SwissPDBviewer to grab single frames
and then I used Quicktime Player Pro (although Graphic Converter will
also do the job) to assemble the frames into a movie. It sounds
laborious but it's not that bad. If you are using Rasmol then you
probably won't need Prefab Player. I have a web site that describes
the basic process at http://www.biology.washington.edu/molecular/
Let me know if you have any further questions.
Dave Hurley
Senior Computer Specialist (a biologist in disguise)
University of Washington
Biology Program
220 Hitchcock Hall
Box 355320
Seattle, WA 98195-5320
phone: 206-685-8038
fax: 206-543-4649
>hello all,
>
>I'm interested in converting Chime animations to standard video format (mov,
>mpg, avi, whatever). I imagine it would require some software capable of
>capturing desktop events - akin to Grab or Screen Capture, but able to
>capture at some decent fps.
>
>has anyone ever done this, or know of software that might handle the task?
>
>thanks,
>
>tim
>--
>molvisions - 3D molecular visualization
>waltham, ma usa
>
>
--
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X-UCL-MailScanner: Found to be clean
++++------+------+------+------+------+------+------+------+------+------+
From: Mike Porter
Subject: Re: Chime animations to video?
Date: Mon, 15 Apr 2002 18:27:02 +0100
To: rasmol@lists.umass.edu
Tim,
I've not done this in Chime, but it's OK to do in Rasmol. You can write a
script file which goes
rotate y 2
save gif image1.gif
rotate y 2
save gif image2.gif
and so on up to image180.gif - of course, you can make the rotations bigger
and the file smaller if you want!
You now need a bit of software which can convert a series of gifs into a
movie - I've used Corel PhotoPaint, but I'm sure there's plenty
around. Finally, delete the several MB of gifs clogging up your hard drive...
Mike
At 21:36 13/04/02, you wrote:
>hello all,
>
>I'm interested in converting Chime animations to standard video format (mov,
>mpg, avi, whatever). I imagine it would require some software capable of
>capturing desktop events - akin to Grab or Screen Capture, but able to
>capture at some decent fps.
>
>has anyone ever done this, or know of software that might handle the task?
>
>thanks,
>
>tim
>--
>molvisions - 3D molecular visualization
>waltham, ma usa
>
>
_________________________________________________________
Dr M J Porter
Lecturer in Organic Chemistry
Department of Chemistry Email: m.j.porter@ucl.ac.uk
UCL (University College London) Tel: +44 20 7679 4710
20 Gordon Street Fax: +44 20 7679 7463
London
WC1H 0AJ, UK
http://www.chem.ucl.ac.uk/people/porter/index.html
----------------------------------------------------------------rasmol-+
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From: Todd Carlson
Subject: Re: Chime animations to video?
Date: Mon, 15 Apr 2002 16:52:27 -0400
To: rasmol@lists.umass.edu
I'll answer for Tim
The RasMol save command doesn't function in Chime. Also, the move command in chime is more complex than just rotate y, etc. You are rotating x, y and z simultaneously and they have to be done in the correct order to get the right results.
Todd
>>> m.j.porter@ucl.ac.uk 04/15/02 01:27PM >>>
Tim,
I've not done this in Chime, but it's OK to do in Rasmol. You can write a
script file which goes
rotate y 2
save gif image1.gif
rotate y 2
save gif image2.gif
and so on up to image180.gif - of course, you can make the rotations bigger
and the file smaller if you want!
You now need a bit of software which can convert a series of gifs into a
movie - I've used Corel PhotoPaint, but I'm sure there's plenty
around. Finally, delete the several MB of gifs clogging up your hard drive...
Mike
At 21:36 13/04/02, you wrote:
>hello all,
>
>I'm interested in converting Chime animations to standard video format (mov,
>mpg, avi, whatever). I imagine it would require some software capable of
>capturing desktop events - akin to Grab or Screen Capture, but able to
>capture at some decent fps.
>
>has anyone ever done this, or know of software that might handle the task?
>
>thanks,
>
>tim
>--
>molvisions - 3D molecular visualization
>waltham, ma usa
>
>
_________________________________________________________
Dr M J Porter
Lecturer in Organic Chemistry
Department of Chemistry Email: m.j.porter@ucl.ac.uk
UCL (University College London) Tel: +44 20 7679 4710
20 Gordon Street Fax: +44 20 7679 7463
London
WC1H 0AJ, UK
http://www.chem.ucl.ac.uk/people/porter/index.html
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From: "Mark J. Biscone"
Subject: POVRay, altering PDB's etc.
Date: Mon, 15 Apr 2002 20:20:37 -0400
To: rasmol@lists.umass.edu
Hey all,
1. Does anyone have a step by step instruction on how to use POVRay 3 to boost the resolution of a RasMol generated .pov script? I am really not getting anywhere and never can focus the imported rendering to contain my whole molecule image.
2. Can .pdb files be combined for when structures of different portions are solved by altering the pdb file in text editor. For example, I am trying to make the structure of HIV-1 integrase using 1ex4 and 1k6y by deleting one of the dimer
pairs in each and then cutting and pasting to make a new pdb file. What needs to be preserved from each file to make this work (if it can be done)?
Thank you very much for your help in these matters.
Sincerely,
Mark Biscone
University of Pennsylvania
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References: <3CBB6E55.177E87FD@mail.med.upenn.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: "Tamas E. Gunda"
Subject: Re: POVRay, altering PDB's etc.
Date: Tue, 16 Apr 2002 09:06:04 +0200
To: rasmol@lists.umass.edu
Mark,
1)
I have currently RasTop installed and maybe it formats differently the pov
file. Send me an example file please.
What you want is easy, but the direction, angle etc of the camera can be
expressed in diffeent ways.
Probably you need to change the camera viewing angle only.
2)
What you want can be done manually too, provided the atom numbering of the
two portions, chains do not overlap.
You need all ATOM and HETATM records, a simple TER between the chains,
finishing with END.
Do not deal with CONECT records, they complicate things, and most programs
do not require them.
ATOM 1 ......
ATOM n ......
TER
ATOM m ...
ATOM z...
END
If atom numberings overlap, you need some auxuliary program to merge the
files and re-edit, for example Mol2Mol.
regards
Tama
-----------------------
Dr. Tamas E. Gunda
Research Group for Antibiotics
Hungarian Academy of Sciences
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
tamasgunda@tigris.klte.hu
----- Original Message -----
Sent: Tuesday, April 16, 2002 02:20
From: "Mark J. Biscone"
Subject: POVRay, altering PDB's etc.
To:
> Hey all,
>
> 1. Does anyone have a step by step instruction on how to use POVRay 3 to
boost the resolution of a RasMol generated .pov script? I am really not
getting anywhere and never can focus the imported rendering to contain my
whole molecule image.
>
> 2. Can .pdb files be combined for when structures of different portions
are solved by altering the pdb file in text editor. For example, I am
trying to make the structure of HIV-1 integrase using 1ex4 and 1k6y by
deleting one of the dimer
> pairs in each and then cutting and pasting to make a new pdb file. What
needs to be preserved from each file to make this work (if it can be done)?
>
> Thank you very much for your help in these matters.
>
> Sincerely,
> Mark Biscone
> University of Pennsylvania
>
>
>
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From: Mike Porter
Subject: Re: Chime animations to video?
Date: Tue, 16 Apr 2002 08:55:23 +0100
To: rasmol@lists.umass.edu
Todd,
I'm aware that the save command doesn't work in Chime, and that the Chime
move command is more complex than simply rotating about the y axis.
I wasn't for a moment suggesting that this method would work in
Chime. All I was saying is that, if you want to generate a movie
that looks like Chime, using RasMol with a script is a
possibility!
Mike
At 21:52 15/04/02, you wrote:
I'll answer for Tim
The RasMol save command doesn't function in Chime. Also, the move
command in chime is more complex than just rotate y, etc. You are
rotating x, y and z simultaneously and they have to be done in the
correct order to get the right results.
Todd
>>> m.j.porter@ucl.ac.uk 04/15/02 01:27PM >>>
Tim,
I've not done this in Chime, but it's OK to do in Rasmol. You can
write a
script file which goes
rotate y 2
save gif image1.gif
rotate y 2
save gif image2.gif
and so on up to image180.gif - of course, you can make the rotations
bigger
and the file smaller if you want!
You now need a bit of software which can convert a series of gifs into a
movie - I've used Corel PhotoPaint, but I'm sure there's plenty
around. Finally, delete the several MB of gifs clogging up your
hard drive...
Mike
_________________________________________________________
Dr M J Porter
Lecturer in Organic Chemistry
Department of
Chemistry
Email:
m.j.porter@ucl.ac.uk
UCL (University College
London) Tel:
+44 20 7679 4710
20 Gordon
Street
Fax: +44 20 7679 7463
London
WC1H 0AJ, UK
http://www.chem.ucl.ac.uk/people/porter/index.html
----------------------------------------------------------------rasmol-+
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++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Re: Chime animations to video?
Date: Tue, 16 Apr 2002 08:32:54 -0400
To: rasmol@lists.umass.edu
Mike Porter at said:
> Todd,
>
> I'm aware that the save command doesn't work in Chime, and that the Chime
> move command is more complex than simply rotating about the y axis. I
> wasn't for a moment suggesting that this method would work in Chime. All
> I was saying is that, if you want to generate a movie that looks like
> Chime, using RasMol with a script is a possibility!
>
> Mike
>
> > At 21:52 15/04/02, Todd Carlson wrote:
> >
> > I'll answer for Tim
> >
> > The RasMol save command doesn't function in Chime. Also, the move
> > command in chime is more complex than just rotate y, etc. You are
> > rotating x, y and z simultaneously and they have to be done in the
> > correct order to get the right results.
> >
> > Todd
> >
> >
> > > m.j.porter@ucl.ac.uk 04/15/02 01:27PM >>>
> > > Tim,
> > >
> > > I've not done this in Chime, but it's OK to do in Rasmol. You can
> > > write a script file which goes
> > >
> > > rotate y 2 save gif image1.gif rotate y 2 save gif image2.gif
> > >
> > >
> > > and so on up to image180.gif - of course, you can make the rotations
> > > bigger and the file smaller if you want!
> > >
> > > You now need a bit of software which can convert a series of gifs
> > > into a movie - I've used Corel PhotoPaint, but I'm sure there's
> > > plenty around. Finally, delete the several MB of gifs clogging up
> > > your hard drive...
> > >
> > > Mike
hi Mike,
I agree; this is one way to generate animated gifs from RasMol "movies" and
a method I've used in the past. and I do have software that will take gifs
and string them all together. but it is a prohibitive amount of work, with
results of dubious quality, and let's face it - I'm lazy (er, I mean, I need
to be efficient with my time - yeah, that's it). and Todd is correct in
pointing out that it is very difficult to reproduce a Chime movement in
RasMol, unless it is very simple. I spent a long time struggling with this
very thing and eventually gave up (I mean, I found a work-around).
what I want to do is turn existing Chime animations into quicktime movies.
in fact, it may be more accurate to call them Chime-based presentations;
some of them run for 20-30 seconds or more, and they include complex 3D
movements, transitions, color changes, textual elements, etc. - and not just
Chime events. so I'm looking for something that is similar to capturing
input from a camcorder. only in this case, the video feed originates on my
desktop, and not an external device.
SnapZ Pro for the Mac seems to be a decent choice - though I have not been
able to test it yet, so it may lack the quality output that I need. I'll
certainly post to the list when I have results, in case there is some
interest.
in the meantime, if anyone is running OS X and has experience with volumes
that refuse to mount, could you please email me off-list? I can't get the
SnapZ Pro disk image to show up on my desktop! (or any other disk images,
or CDs, or DVDs.) thanks.
regards,
tim
--
molvisions - 3D molecular visualization
waltham, ma usa
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From: Todd Carlson
Subject: one button, two images?
Date: Tue, 16 Apr 2002 15:29:51 -0400
To: rasmol@lists.umass.edu
Hi
Is it possible to have one chime button execute two scripts for different chime images without using javascript?
Thanks
Todd
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<20020416191153-r01050000-56AAA2F6-518F-11D6-AE02-003065DFD8FC-1013-010c@192.168.1.13>
++++------+------+------+------+------+------+------+------+------+------+
From: Timothy Driscoll
Subject: Re: one button, two images?
Date: Tue, 16 Apr 2002 19:11:52 -0400
To: rasmol@lists.umass.edu
Todd Carlson at said:
> Hi
>
> Is it possible to have one chime button execute two scripts for different
> chime images without using javascript?
>
hi Todd,
I don't believe it's possible, though someone is more than welcome to prove
me wrong ;-)
why can't you use javascript? have the button send a script to plug-in
instance 1, and also trigger the creation of a second, invisible,
immediate-mode button that sends a second script to plug-in instance 2.
that gets around LiveConnect, and I think it uses only standard javascript
syntax (I'd have to try the code to know for sure).
hth,
tim
--
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waltham, ma usa
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References: <3CBB6E55.177E87FD@mail.med.upenn.edu>
<003d01c1e515$2da13ca0$3b8506c1@cthulhu>
++++------+------+------+------+------+------+------+------+------+------+
From: "Mark J. Biscone"
Subject: Re: POVRay, altering PDB's etc.
Date: Wed, 17 Apr 2002 00:03:21 -0400
To: rasmol@lists.umass.edu
This is a multi-part message in MIME format.
--Boundary_(ID_N0rNcsXnm7i1jKeTmuj6vQ)
Hi Tamas,
Thanks for your help and suggestions.
1) Attached is an example file (just pasted in a powerpoint file - JPEG or TIFF
formatted picture) that I wanted to import into POVRay and then export to boost
resolution. I am not familiar with RasTop either but am trying to get know a
bunch of these programs now.
2) I was able to cut and paste the ATOM and HETATM portions to create a new pdb
file of subsets of proteins and that was pretty neat. I have tried to combine
different proteins in a new pdb file but so far haven't had any luck - (some are
predicted structures and are rather strange)
Thanks again for the help!
Cheers,
Mark
> Mark,
>
> 1)
> I have currently RasTop installed and maybe it formats differently the pov
> file. Send me an example file please.
> What you want is easy, but the direction, angle etc of the camera can be
> expressed in diffeent ways.
> Probably you need to change the camera viewing angle only.
>
> 2)
> What you want can be done manually too, provided the atom numbering of the
> two portions, chains do not overlap.
> You need all ATOM and HETATM records, a simple TER between the chains,
> finishing with END.
> Do not deal with CONECT records, they complicate things, and most programs
> do not require them.
>
> ATOM 1 ......
> ATOM n ......
> TER
> ATOM m ...
> ATOM z...
> END
>
> If atom numberings overlap, you need some auxuliary program to merge the
> files and re-edit, for example Mol2Mol.
>
> regards
>
> Tama
> -----------------------
>
> > Hey all,
> >
> > 1. Does anyone have a step by step instruction on how to use POVRay 3 to
> boost the resolution of a RasMol generated .pov script? I am really not
> getting anywhere and never can focus the imported rendering to contain my
> whole molecule image.
> >
> > 2. Can .pdb files be combined for when structures of different portions
> are solved by altering the pdb file in text editor. For example, I am
> trying to make the structure of HIV-1 integrase using 1ex4 and 1k6y by
> deleting one of the dimer
> > pairs in each and then cutting and pasting to make a new pdb file. What
> needs to be preserved from each file to make this work (if it can be done)?
> >
> > Thank you very much for your help in these matters.
> >
> > Sincerely,
> > Mark Biscone
> > University of Pennsylvania
> >
> >
> >
>
++++------+------+------+------+------+------+------+------+------+------+
From: "Tamas E. Gunda"
Subject: Re: POVRay, altering PDB's etc.
Date: Thu, 18 Apr 2002 11:41:33 +0200
To: rasmol@lists.umass.edu
Dear Mark,
In the pov file you should find the camera object, should look something
similar such as:
camera {
orthographic
location <0.954505, 0.332051, -40>
look_at <0.954505, 0.332051, 0.598872>
up <0, -1.74, 0>
right <2.032, 0, 0>
}
The use of orthographic camera complicates manual trimming, so
comment out "orthographic, up, right" and add angle 50:
camera {
//orthographic
location <0.954505, 0.332051, -40>
look_at <0.954505, 0.332051, 0.598872>
angle 50
//up <0, -1.74, 0>
//right <2.032, 0, 0>
}
If you run the script now, the molecule will probably look very small.
Therefore:
You should move the camera toward the molecule - decrease the z-distance
e.g. from -40 to -20 (the negative z axis points toward you(=camera) ),
and/or you can change the camera lens angle.
Hope this helps, regards
Tamas
--------
Dr. Tamas E. Gunda
Research Group for Antibiotics
Hungarian Academy of Sciences
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
tamasgunda@tigris.klte.hu
----- Original Message -----
Sent: Wednesday, April 17, 2002 06:03
From: "Mark J. Biscone"
Subject: Re: POVRay, altering PDB's etc.
To:
> Hi Tamas,
>
> Thanks for your help and suggestions.
>
> 1) Attached is an example file (just pasted in a powerpoint file - JPEG
or TIFF
> formatted picture) that I wanted to import into POVRay and then export to
boost
> resolution. I am not familiar with RasTop either but am trying to get
know a
> bunch of these programs now.
>
> 2) I was able to cut and paste the ATOM and HETATM portions to create a
new pdb
> file of subsets of proteins and that was pretty neat. I have tried to
combine
> different proteins in a new pdb file but so far haven't had any luck -
(some are
> predicted structures and are rather strange)
>
> Thanks again for the help!
>
> Cheers,
> Mark
>
>
> > Mark,
> >
> > 1)
> > I have currently RasTop installed and maybe it formats differently the
pov
> > file. Send me an example file please.
> > What you want is easy, but the direction, angle etc of the camera can be
> > expressed in diffeent ways.
> > Probably you need to change the camera viewing angle only.
> >
> > 2)
> > What you want can be done manually too, provided the atom numbering of
the
> > two portions, chains do not overlap.
> > You need all ATOM and HETATM records, a simple TER between the chains,
> > finishing with END.
> > Do not deal with CONECT records, they complicate things, and most
programs
> > do not require them.
> >
> > ATOM 1 ......
> > ATOM n ......
> > TER
> > ATOM m ...
> > ATOM z...
> > END
> >
> > If atom numberings overlap, you need some auxuliary program to merge the
> > files and re-edit, for example Mol2Mol.
> >
> > regards
> >
> > Tama
> > -----------------------
> >
> > > Hey all,
> > >
> > > 1. Does anyone have a step by step instruction on how to use POVRay
3 to
> > boost the resolution of a RasMol generated .pov script? I am really
not
> > getting anywhere and never can focus the imported rendering to contain
my
> > whole molecule image.
> > >
> > > 2. Can .pdb files be combined for when structures of different
portions
> > are solved by altering the pdb file in text editor. For example, I am
> > trying to make the structure of HIV-1 integrase using 1ex4 and 1k6y by
> > deleting one of the dimer
> > > pairs in each and then cutting and pasting to make a new pdb file.
What
> > needs to be preserved from each file to make this work (if it can be
done)?
> > >
> > > Thank you very much for your help in these matters.
> > >
> > > Sincerely,
> > > Mark Biscone
> > > University of Pennsylvania
> > >
> > >
> > >
> >
>
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From: Timothy Driscoll
Subject: rasmol and OS X
Date: Fri, 19 Apr 2002 15:55:33 -0400
To: "LIST: rasmol"
hi,
has anyone had success compiling and running rasmol in OS X? I downloaded the
files from and tried to follow the
directions for a standard unix build, but I couldn't get it to work (I'm mostly
unfamiliar with unix). I reached "make" but it told me that "rasmol is
up-to-date," which is okay, but now I can't find any executable.
any takers?
thanks,
tim
--
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waltham, ma usa
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From: Mengjuei Hsieh
Subject: Re: rasmol and OS X
Date: Mon, 22 Apr 2002 04:17:56 -0700
To: rasmol@lists.umass.edu
Did you install an X server? I believe that you should have one before
you start. If you don't have one, try
http://sourceforge.net/projects/xonx/ for more information.
For this case, all you need is to "make install" instead of "make". But
you have to be a root when you are running this command.
There is no "Aqua" Window for RasMol so far. Perhaps somebody in this
maillist is working on it. :-)
Best,
MJ
On Friday, April 19, 2002, at 12:55 PM, Timothy Driscoll wrote:
> has anyone had success compiling and running rasmol in OS X? I
> downloaded the
> files from and tried to follow the
> directions for a standard unix build, but I couldn't get it to work
> (I'm mostly
> unfamiliar with unix). I reached "make" but it told me that "rasmol is
> up-to-date," which is okay, but now I can't find any executable.
> any takers?
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++++------+------+------+------+------+------+------+------+------+------+
From: Mengjuei Hsieh
Subject: Re: MacOSX and chime
Date: Mon, 22 Apr 2002 04:24:22 -0700
To: rasmol@lists.umass.edu
Well, I think the only option to run i386 linux software so far is to
install a PC emulator like VPC or bochs.
I prefer running classic version of netscape with chime plugin.
Best,
MJ
On Monday, April 8, 2002, at 01:31 PM, Timothy Driscoll wrote:
>I have no direct experience with running linux software under OS X,
though
>YMMV. if you do discover a work-around, I'm sure that the list would be
>interested in hearing of it.
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From: Eric Martz
Subject: How to avoid breaking Chime in IE
Date: Wed, 24 Apr 2002 15:13:00 -0400
To: rasmol@lists.umass.edu
For the past couple of months, I've been struggling with an obscure bug
that causes many Chime sites designed for Internet Explorer (IE) to fail to
work in IE, including my Protein Explorer 1.922, Demers' MOI, and Pillot's
MoLUSC (URL's are at http://molvisindex.org). (This concerns Windows only
since Chime is not supported for IE on the Mac.)
After an exhausting amount of work, I've finally discovered that this
damaged-Chime state of IE is caused when the very first installation of
Chime on a Windows system is directed to Netscape only (by unchecking IE in
the installer). It occurs only when the IE on the system is IE5.0, but once
it happens, upgrading afterwards to IE 5.5 or 6 won't fix it. It occurs in
Win98, Win98SE, and Win2000. It occurs both with the Chime 2.0.3 and Chime
2.6SP3 installers.
If the very first installation of Chime is done before Netscape is
installed, or is left in the default mode of installing Chime in both
browsers, or is directed to IE only, the problem does NOT occur. Or if you
upgrade to IE5.5SP2 BEFORE you first install Chime, it doesn't happen
regardless of where you direct the first Chime installation. So that's how
to avoid it. The bad news is that so far I don't know any way to fix the
problem, short of reformatting your hard disk and reinstalling Windows. I'm
working on a more practical fix and will report it here if I succeed.
Upgrading, repairing, or reinstalling IE, reverting to a previously
installed version of IE, and uninstalling/reinstalling Chime don't fix it.
A simple test to find out if your Chime/IE installation has this problem:
in IE, go to http://www.umass.edu/microbio/chime/quizzer/index.htm (or a
local downloaded copy of this site). Click on the large link to start the
Amino Acid Quizzer -- when it loads you will see a wireframe protein
(assuming Chime has been installed in IE). Enter a number in the slot, e.g.
"1". If it FAILS to render the number-specified residue in bright green
spacefill, you have the damaged state. (The green spacefilled residue
ALWAYS appears in Netscape.)
Specifically, what fails is the only mechanism known in IE for javascript
to send a command string to Chime ("immediate mode button in invisible
frame"). A more detailed account of this saga is available on request. In
the end, I had to use virtual machines (www.vmware.com) in order to do the
diagnosis at a practical pace.
I have conveyed my detailed findings directly to the Chime Team at MDL.
-Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: Re: FW: How to avoid breaking Chime in IE
Date: Wed, 24 Apr 2002 21:37:55 -0400
To: rlight@chemmail.chem.fsu.edu
Cc: rasmol@lists.umass.edu
At 4/24/02, rlight wrote:
>
>Eric,
>
>Have you otherwise gotten chime to work in IE 6? (under windows XP)?
>
>Robley
Yes. Provided the problem I described today is avoided, Protein Explorer
1.922 alpha (my acid test for Chime function in IE) appears to work just
fine in IE 6.0.
I have no WinXP systems at my disposal for testing. I am not aware of any
Chime or browser-specific problems in XP.
As far as I know, there are still multiple serious bugs in Netscape 6 (and
Mozilla) that prevent Chime scripting from working.
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
----------------------------------------------------------------rasmol-+
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++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: YOU, too, could be unwittingly unsubscribed
Date: Wed, 24 Apr 2002 21:49:08 -0400
To: rasmol@lists.umass.edu
Just a reminder -- of the 600 subscribers to this list (seems to have
reached a steady state), I have to unsubscribe several each week because
their mail bounces with the message "user unknown" or "account
discontinued" or "unable to deliver for 3 days" or somesuch. I try to avoid
unsubscribing mail that bounces due to overfilled mailboxes, temporary
server outages, "unable to deliver for 1 day" and so forth, but after a few
days of receiving and having to scrutinize each of dozens of those bounces
my patience runs out on those too, and they get unsubscribed to save my
sanity.
So if you have temporary email problems, be aware you may get unsubscribed
and simply need to resubscribe. Instructions are at the bottom of EVERY
message you receive from this list -- please use them. (File a copy of this
email where you can find it in case one day you feel something is missing
in your life.)
-Eric (list manager) Martz
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References: <200204241912.g3OJCN228699@marlin.bio.umass.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: T & S Carlson
Subject: Re: How to avoid breaking Chime in IE
Date: Thu, 25 Apr 2002 00:01:14 -0400
To: rasmol@lists.umass.edu
Eric
What a remarkable piece of debugging. Hats off to you. I saw a note at
the Chime site that says they are working to make Chime less dependent
on browser features, and thus more portable. Let's hope they succeede.
Todd
Eric Martz wrote:
> For the past couple of months, I've been struggling with an obscure bug
> that causes many Chime sites designed for Internet Explorer (IE) to fail to
> work in IE, including my Protein Explorer 1.922, Demers' MOI, and Pillot's
> MoLUSC (URL's are at http://molvisindex.org). (This concerns Windows only
> since Chime is not supported for IE on the Mac.)
>
> After an exhausting amount of work, I've finally discovered that this
> damaged-Chime state of IE is caused when the very first installation of
> Chime on a Windows system is directed to Netscape only (by unchecking IE in
> the installer). It occurs only when the IE on the system is IE5.0, but once
> it happens, upgrading afterwards to IE 5.5 or 6 won't fix it. It occurs in
> Win98, Win98SE, and Win2000. It occurs both with the Chime 2.0.3 and Chime
> 2.6SP3 installers.
>
> If the very first installation of Chime is done before Netscape is
> installed, or is left in the default mode of installing Chime in both
> browsers, or is directed to IE only, the problem does NOT occur. Or if you
> upgrade to IE5.5SP2 BEFORE you first install Chime, it doesn't happen
> regardless of where you direct the first Chime installation. So that's how
> to avoid it. The bad news is that so far I don't know any way to fix the
> problem, short of reformatting your hard disk and reinstalling Windows. I'm
> working on a more practical fix and will report it here if I succeed.
> Upgrading, repairing, or reinstalling IE, reverting to a previously
> installed version of IE, and uninstalling/reinstalling Chime don't fix it.
>
> A simple test to find out if your Chime/IE installation has this problem:
> in IE, go to http://www.umass.edu/microbio/chime/quizzer/index.htm (or a
> local downloaded copy of this site). Click on the large link to start the
> Amino Acid Quizzer -- when it loads you will see a wireframe protein
> (assuming Chime has been installed in IE). Enter a number in the slot, e.g.
> "1". If it FAILS to render the number-specified residue in bright green
> spacefill, you have the damaged state. (The green spacefilled residue
> ALWAYS appears in Netscape.)
>
>
> Specifically, what fails is the only mechanism known in IE for javascript
> to send a command string to Chime ("immediate mode button in invisible
> frame"). A more detailed account of this saga is available on request. In
> the end, I had to use virtual machines (www.vmware.com) in order to do the
> diagnosis at a practical pace.
>
> I have conveyed my detailed findings directly to the Chime Team at MDL.
>
> -Eric
>
>
> /* - - - - - - - - - - - - - - - - - - - - - - - - - - -
> The Protein Explorer: http://proteinexplorer.org
> Workshops: http://www.umass.edu/molvis/workshop
> World Index of Molecular Visualization Resources: http://molvisindex.org
> PDB Lite molecule finder: http://pdblite.org
> Molecular Visualization EMail List:
> http://www.umass.edu/microbio/rasmol/raslist.htm
>
> Eric Martz, Professor (Immunology), Dept Microbiology
> U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
> http://www.umass.edu/molvis/martz
> - - - - - - - - - - - - - - - - - - - - - - - - - - - */
>
>
>
>
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References: <200204250137.g3P1bJ209397@marlin.bio.umass.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: Paul Pillot
Subject: Chime in Netscape 6.2 and Mozilla
Date: Thu, 25 Apr 2002 08:37:36 +0200
To: rasmol@lists.umass.edu
Eric,
thanks again for the work done.
I use Netscape 6.2.1, and I tried Mozlla 9.8. Both of them work with chime,
untill you did install the Chime files in their plug-in directory.
Unfortunately Opera 6.0 could work but is too much unstable.
I succeed to make the IMBIF method work in these browser, for my project
MolUSc. An update will be soon available so that you could test it.
For people interested in writing cross-browser javascript for chime, here is
the code I use :
The function to send scripts to Chime :
function do_cmds(cmds)
{
if (document.getElementById)
{
html= "";
html += "";
document.getElementById("invisible").innerHTML = '"' + html
+ '"';
}
else top.f_vis.document.molecule.executeScript(cmds);
}
and in the body, at the bottom of the page :
document.getElementById is an Internet Explorer, and a Netscape 6 function.
As it doesn't exist in Communicator, the test is false in this last browser.
Paul Pillot
----- Original Message -----
Sent: Thursday, April 25, 2002 3:37 AM
From: "Eric Martz"
Subject: Re: FW: How to avoid breaking Chime in IE
To:
Cc:
> At 4/24/02, rlight wrote:
> >
> >Eric,
> >
> >Have you otherwise gotten chime to work in IE 6? (under windows XP)?
> >
> >Robley
>
> Yes. Provided the problem I described today is avoided, Protein Explorer
> 1.922 alpha (my acid test for Chime function in IE) appears to work just
> fine in IE 6.0.
>
> I have no WinXP systems at my disposal for testing. I am not aware of any
> Chime or browser-specific problems in XP.
>
> As far as I know, there are still multiple serious bugs in Netscape 6 (and
> Mozilla) that prevent Chime scripting from working.
>
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<001101c1ec23$b0573400$0100a8c0@zig>
++++------+------+------+------+------+------+------+------+------+------+
From: Jean Richelle
Subject: Re: Chime in Netscape 6.2 and Mozilla
Date: Thu, 25 Apr 2002 09:17:59 +0200
To: rasmol@lists.umass.edu
Dear Paul,
I suppose you are running under Windows ?
>I use Netscape 6.2.1, and I tried Mozlla 9.8. Both of them work with chime,
>untill you did install the Chime files in their plug-in directory.
>Unfortunately Opera 6.0 could work but is too much unstable.
Jean
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<001101c1ec23$b0573400$0100a8c0@zig>
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From: Paul Pillot
Subject: Re: Chime in Netscape 6.2 and Mozilla
Date: Thu, 25 Apr 2002 09:32:48 +0200
To: rasmol@lists.umass.edu
Forgive me for this imprecision : I'm effectively running under windows, and
I haven't the possibility to make tests under MacOs...
Paul Pillot
----- Original Message -----
Sent: Thursday, April 25, 2002 9:17 AM
From: "Jean Richelle"
Subject: Re: Chime in Netscape 6.2 and Mozilla
To:
> Dear Paul,
>
> I suppose you are running under Windows ?
>
> >I use Netscape 6.2.1, and I tried Mozlla 9.8. Both of them work with
chime,
> >untill you did install the Chime files in their plug-in directory.
> >Unfortunately Opera 6.0 could work but is too much unstable.
>
> Jean
>
>
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From: "Michael H. Patrick"
Subject: Re: What are they learning from Chime?
Date: Thu, 25 Apr 2002 07:59:32 -0500
To: rasmol@lists.umass.edu
I have been reading with great interest the postings on "what are
they learning from Chime", since we are in the midst of a large
NSF-funded project to evaluate the integrated use of accurate
physical modelis and computer visulaization (RasMol, Chime, PE) in
undergrad classes ranging from introductory chemistry to honors
sophomore biology to upper level biochemistry. We also have been
developing and testing approaches with high school teachers as part
of our NIH professional development program. We hope to have the
results of this study analyzed within the year, but I can share some
preliminary findings.
First, we, like others, find RasMol-based learning helps
students understand protein structure, but this is more pronounced at
the advanced courses than the introductory level. Second, we find
that Chime tutorials are very popular and are excellent adjuncts to
text and/or lecture, but they are basically passive.....and so,
students in introductory courses aren't helped a great deal. It
seems to call for a degree of "chemspeak" that most don't (yet) have.
The same seems to be true for PE. We find that having them spend
time getting up to speed on RasMol commands then undergo guided
exploration is so far the best learning mode. I have a feeling,
however, that there will not be a definitive evaluation since the
whole thing is too confounded with the background and abilities of
the instructor on the use of computer visualization as an
educational vehicle.
Probably the most interesting thing we find is how very
important physical models are in helping students understand
biomolecular structure and function. Over the past several years, we
have developed rapid prototyping models of biomolecules using as the
ultimate data source, the same pdb file that used in RasMol. The
three dimensionality and simple tactile nature of these models seems
to make a great deal of difference in student understanding at all
levels. However, there are aspects and features that physical models
can not do and computer modeling can. So, our conclusion thus
far....at all levels....is that no one modeling platform is
sufficient, but when integrated they can be very powerful.
We are always looking for facutly interested in becoming part
of this evaluation project. If you wish to find out more, please let
me or my colleague, Tim Herman, know. Meanwhile, you can get a
glimpse of some of this on our website, www.rpc.msoe.edu/cbm (now
undergoing major reconstruction). We are also in the process of
preparing CDs that describe the approach we use in detail.
--
Michael H. Patrick, Ph.D.
Adjunct Professor and Co-Director:
Center for BioMolecular Modeling, Milwaukee School of Engineering
Wisconsin Teacher Enhancement Program, University of Wisconsin-Madison
Campus: 104 Genetcs 445 Henry Mall Madison, WI. 53706
Ph. (608)265-4564 Fx (608)262-2976
Home Office:
E3130 Saxeville Rd. Pine River, WI. 54965
Ph. (715) 258-5141 Fx. (715) 258-5041
mpatrick@facstaff.wisc.edu or models@execpc.com
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From: southey@ux1.cso.uiuc.edu
Subject: Re: Chime in Netscape 6.2 and Mozilla
Date: Thu, 25 Apr 2002 10:04:51 -0500 (CDT)
To: rasmol@lists.umass.edu
Hi,
Under Linux, CodeWeaver's CrossOver plugin version 1.1.0 will now directly
install Chime (you have to first download the Windows version of the
Chime installer and then use the pluginsetup in advanced mode).
CodeWeaver's actually made changes in CrossOver for Chime eventhough it is
not a plugin they support.
I have not updated my browsers in a while but Chime works in these
Linux versions:
Netscape 4.78
Mozilla 0.9.4 - there is now a version 1 release candidate
Galeon 0.12.1 - now over version 1.
I have not tried to get my version of Konqueror to recognize the crossover
plugins yet.
I have not tried Opera on Linux.
Codeweavers also have their CrossOver Office that allows you to run
Microsoft Office on Linux. While Word, Excel and Powerpoint run well,
Internet Explorer crashes but it appears that CodeWeavers may get it to
run also.
Regards,
Bruce
On Thu, 25 Apr 2002, Paul Pillot wrote:
> Forgive me for this imprecision : I'm effectively running under windows, and
> I haven't the possibility to make tests under MacOs...
> Paul Pillot
> ----- Original Message -----
> From: "Jean Richelle"
> To:
> Sent: Thursday, April 25, 2002 9:17 AM
> Subject: Re: Chime in Netscape 6.2 and Mozilla
>
>
> > Dear Paul,
> >
> > I suppose you are running under Windows ?
> >
> > >I use Netscape 6.2.1, and I tried Mozlla 9.8. Both of them work with
> chime,
> > >untill you did install the Chime files in their plug-in directory.
> > >Unfortunately Opera 6.0 could work but is too much unstable.
> >
> > Jean
> >
> >
>
>
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From: Eric Martz
Subject: Repairing "broken Chime" in IE
Date: Thu, 25 Apr 2002 12:13:50 -0700
To: rasmol@lists.umass.edu
This message pertains to Windows 98, 98SE, 2000, and most likely other
versions of Windows (but not to Macs). Below, I review how the Chime
installer can damage your Windows system, rendering many IE-compatible
Chime sites inoperable on your computer, and I provide a procedure that
I believe will repair the damage.
My testing of the repair procedure has been limited, so I would greatly
appreciate hearing from those of you who find you have the damaged
state. Please let me know whether the procedure corrected it, and
mention the version of IE (Help, About IE) and version of Windows (right
click on My Computer, then click Properties).
Most if not all Chime sites work in Netscape. If you can use Netscape
for Chime sites, you probably don't need to repair IE's ability to work
with Chime. In some institutions and teaching computer labs, it is not
permitted to install Netscape -- in these cases, the repair procedure
below should allow you to use all IE-compatible Chime sites. (Many older
Chime sites were developed for Netscape and have not been upgraded to
work in IE, including many that I authored.)
THE PROBLEM
Yesterday I reported that if the very first installation of Chime on a
Windows system is directed into Netscape only (not Internet Explorer,
IE), while IE 5.0 is present, IE's ability to communicate command
scripts to Chime (after Chime is subsequently installed into IE) is
permanently broken. Upgrading IE, uninstalling/reinstalling Chime,
repairing or reinstalling IE all fail to correct this "damaged IE"
condition, which prevents the operation of Protein Explorer in IE as
well as many other IE-compatible Chime sites. For further details,
consult yesterday's message in the list history at
ftp://marlin.bio.umass.edu/pub/shareware/rasmol/email-history/00ReadMe.html
(click on "current", wait for all of it to load, and go to the bottom).
DETECTION OF THE PROBLEM
The "damaged IE" condition can be detected by going to
http://www.umass.edu/microbio/chime/quizzer/index.htm, and clicking on
the link "Amino Acid Quizzer". If, despite Chime having been installed
into IE, you see a white rectangle in the left frame with a "missing
plugin" icon, and no molecule displays, you have the damaged state. (You
can confirm that Chime was installed for IE: Start, Settings, Control
Panel, Add/Remove Software: if "Chime for IE" appears on the list, it
was installed.) If a black rectangle appears in the Amino Acid Quizzer,
and a wireframe protein molecule displays automatically, then proceed to
enter the number "1" into the slot. If, after pressing the Enter key, a
spacefilled bright green residue does NOT appear, you have the damaged
state. If the green spacefilled residue appears, your system is OK.
REPAIR PROCEDURE
Caution: this procedure involves editing the Windows Registry, and
though unlikely if the procedure is followed carefully, could possibly
render your computer unbootable. Backup critical files first, and be
sure you have a bootable rescue diskette (on Windows 98, Start,
Settings, Control Panel, Add/Remove Programs, then click the Startup
Disk tab; can someone please tell me how to create one on Win2000?
Microsoft hasn't made it easy to find!).
PROCEED AT YOUR OWN RISK. If you are not comfortable doing this
procedure, seek help from someone more familiar with the technical side
of Windows.
1. Start, Settings, Control Panel, Add/Remove Software.
2. Uninstall Chime for IE, and if present, any other Chime installations
such as Chime for Netscape. All Chime's should be uninstalled.
3. Start, Run, and enter "regedit" into the slot, then click OK. The
Registry Editor will open.
4. In the Registry Editor, click Help, Help Topics, Restore the
Registry. Right click the help text that appears and print it, just in
case. I have never had to do this, but better safe than sorry.
5. In the Registry Editor, click the [+] next to each of the following
in the hierarchy of keys. Each click will open the keys encompassed by
the parent key, enabling you to find the next key to open.
HKEY_LOCAL_MACHINE
Software
Microsoft
Internet Explorer
Plugins
Extension
Highlight the last entry, "Extension", and Edit, Delete, confirm
deletion.
The following (or something similar) subsumed under Extension will
thereby be deleted. These keys appear to be responsible for the problem.
"Content Type"="chemical/x-pdb"
"Version"="2, 6, 0, 8"
@="Chemscape Chime 2.6 SP3"
"Location"="C:\\NAVIGATO\\PROGRAM\\PLUGINS\\npchime.dll"
Close the Registry Editor (Registry, Exit, or simply click on the X at
the upper right corner).
6. Install Chime into IE (and also in Netscape if you have it). (Run the
Chime installer downloadable from http://www.mdlchime.com)
Repeat the test above for detection of the damaged state. Your IE should
be repaired, the green spacefilled residue should appear, and Protein
Explorer 1.922 alpha and other IE-compatible Chime sites should now
operate on your computer.
-Eric Martz
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From: Joel Dudley
Subject: rasmol rendering core
Date: Thu, 25 Apr 2002 10:07:51 -0700
To: "'rasmol@lists.umass.edu'"
This message is in MIME format. Since your mail reader does not understand
this format, some or all of this message may not be legible.
--Boundary_(ID_ENZyAHEpGdkefLs/FzwifQ)
I am trying to isolate the rasmol rendering core such that I can place it in
a DLL (or .so on Linux) and load the library into a Delphi/Kylix application
so I can provide a rasmol rendering window inside my app. Does anyone have
experience isolating the rasmol rendering core or know of any source code
documentation that would aid my efforts? Thank you for reading my post.
- Joel
--Boundary_(ID_ENZyAHEpGdkefLs/FzwifQ)
rasmol rendering core
I am trying to isolate the rasmol rendering core such that I can place it in a DLL (or .so on Linux) and load the library into a Delphi/Kylix application so I can provide a rasmol rendering window inside my app. Does anyone have experience isolating the rasmol rendering core or know of any source code documentation that would aid my efforts? Thank you for reading my post.
- Joel
--Boundary_(ID_ENZyAHEpGdkefLs/FzwifQ)--
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From: Philippe
Subject: Re: rasmol rendering core
Date: Tue, 23 Apr 2002 23:25:21 -0700
To: rasmol@lists.umass.edu
This is a multi-part message in MIME format.
--Boundary_(ID_oGtwHgVvvSRwHaPIcuGAdQ)
rasmol rendering coreDear Joel,
It is relatively simple and you may want to have a look at rastop source code at www.geneinfinity.org/rastop, especially the set of c files which isolates the rasmol rendering core that you mentioned. You may also want to read the license, which probably prevents you to do that unless your application becomes under the same license. You can use rasmol 2.6.4 source, which is totally free, but is becoming a little old and is full of known bugs.
Good luck,
Philippe
---------------------------
*** RasTop ***
---------------------------
Philippe Valadon
P.O. Box 13014, La Jolla, CA 92039, USA.
rastop@geneinfinity.org
----- Original Message -----
From: Joel Dudley
To: 'rasmol@lists.umass.edu'
Sent: Thursday, April 25, 2002 10:07 AM
Subject: rasmol rendering core
I am trying to isolate the rasmol rendering core such that I can place it in a DLL (or .so on Linux) and load the library into a Delphi/Kylix application so I can provide a rasmol rendering window inside my app. Does anyone have experience isolating the rasmol rendering core or know of any source code documentation that would aid my efforts? Thank you for reading my post.
- Joel
--Boundary_(ID_oGtwHgVvvSRwHaPIcuGAdQ)
rasmol rendering core
Dear Joel,
It is relatively simple and you may want to have a
look at rastop source code at www.geneinfinity.org/rastop, especially the set of c files which isolates the rasmol
rendering core that you mentioned. You may also want to read the license,
which probably prevents you to do that unless your application becomes under the
same license. You can use rasmol 2.6.4 source, which is totally free, but is
becoming a little old and is full of known bugs.
Good luck,
Philippe
---------------------------
***
RasTop ***
---------------------------
Philippe
Valadon
P.O. Box 13014, La Jolla, CA 92039, USA.
rastop@geneinfinity.org
----- Original Message -----
Sent: Thursday, April 25, 2002 10:07
AM
Subject: rasmol rendering core
I am trying to isolate the rasmol rendering core such that I
can place it in a DLL (or .so on Linux) and load the library into a
Delphi/Kylix application so I can provide a rasmol rendering window inside my
app. Does anyone have experience isolating the rasmol rendering core or know
of any source code documentation that would aid my efforts? Thank you for
reading my post.
- Joel
--Boundary_(ID_oGtwHgVvvSRwHaPIcuGAdQ)--
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References: <3CC8556E.8A07A7D6@microbio.umass.edu>
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From: "Tamas E. Gunda"
Subject: Re: Repairing "broken Chime" in IE
Date: Fri, 26 Apr 2002 10:00:50 +0200
To: rasmol@lists.umass.edu
Emergency backup diskette & registry backup in Win2000:
> Caution: this procedure involves editing the Windows Registry, and
> though unlikely if the procedure is followed carefully, could possibly
> render your computer unbootable. Backup critical files first, and be
> sure you have a bootable rescue diskette (on Windows 98, Start,
> Settings, Control Panel, Add/Remove Programs, then click the Startup
> Disk tab; can someone please tell me how to create one on Win2000?
> Microsoft hasn't made it easy to find!).
>
In Start Menu, open Program | Accessories | System Tools |Backup;
In the Backup dialog select from the main menu Tools | Create emergency
backup diskette;
Put an empty diskette into A:
Check the Also backup registry checkbox, and OK.
To restore a "dead" registry, you have to start-up the PC from the Win2000
CD-ROM, and follow the instructions.
Best regards
Tamas Gunda
----------------
Dr. Tamas E. Gunda
Research Group for Antibiotics
Hungarian Academy of Sciences
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
tamasgunda@tigris.klte.hu
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From: Karen Ocorr
Subject: Re: Repairing "broken Chime" in IE
Date: Fri, 26 Apr 2002 14:39:20 -0400
To: rasmol@lists.umass.edu
THANKS!!
Karen
At 12:13 PM 4/25/2002 -0700, you wrote:
>This message pertains to Windows 98, 98SE, 2000, and most likely other
>versions of Windows (but not to Macs). Below, I review how the Chime
>installer can damage your Windows system, rendering many IE-compatible
>Chime sites inoperable on your computer, and I provide a procedure that
>I believe will repair the damage.
>
>My testing of the repair procedure has been limited, so I would greatly
>appreciate hearing from those of you who find you have the damaged
>state. Please let me know whether the procedure corrected it, and
>mention the version of IE (Help, About IE) and version of Windows (right
>click on My Computer, then click Properties).
>
>Most if not all Chime sites work in Netscape. If you can use Netscape
>for Chime sites, you probably don't need to repair IE's ability to work
>with Chime. In some institutions and teaching computer labs, it is not
>permitted to install Netscape -- in these cases, the repair procedure
>below should allow you to use all IE-compatible Chime sites. (Many older
>Chime sites were developed for Netscape and have not been upgraded to
>work in IE, including many that I authored.)
>
>THE PROBLEM
>
>Yesterday I reported that if the very first installation of Chime on a
>Windows system is directed into Netscape only (not Internet Explorer,
>IE), while IE 5.0 is present, IE's ability to communicate command
>scripts to Chime (after Chime is subsequently installed into IE) is
>permanently broken. Upgrading IE, uninstalling/reinstalling Chime,
>repairing or reinstalling IE all fail to correct this "damaged IE"
>condition, which prevents the operation of Protein Explorer in IE as
>well as many other IE-compatible Chime sites. For further details,
>consult yesterday's message in the list history at
>ftp://marlin.bio.umass.edu/pub/shareware/rasmol/email-history/00ReadMe.html
>
>(click on "current", wait for all of it to load, and go to the bottom).
>
>DETECTION OF THE PROBLEM
>
>The "damaged IE" condition can be detected by going to
>http://www.umass.edu/microbio/chime/quizzer/index.htm, and clicking on
>the link "Amino Acid Quizzer". If, despite Chime having been installed
>into IE, you see a white rectangle in the left frame with a "missing
>plugin" icon, and no molecule displays, you have the damaged state. (You
>can confirm that Chime was installed for IE: Start, Settings, Control
>Panel, Add/Remove Software: if "Chime for IE" appears on the list, it
>was installed.) If a black rectangle appears in the Amino Acid Quizzer,
>and a wireframe protein molecule displays automatically, then proceed to
>enter the number "1" into the slot. If, after pressing the Enter key, a
>spacefilled bright green residue does NOT appear, you have the damaged
>state. If the green spacefilled residue appears, your system is OK.
>
>REPAIR PROCEDURE
>
>Caution: this procedure involves editing the Windows Registry, and
>though unlikely if the procedure is followed carefully, could possibly
>render your computer unbootable. Backup critical files first, and be
>sure you have a bootable rescue diskette (on Windows 98, Start,
>Settings, Control Panel, Add/Remove Programs, then click the Startup
>Disk tab; can someone please tell me how to create one on Win2000?
>Microsoft hasn't made it easy to find!).
>
>PROCEED AT YOUR OWN RISK. If you are not comfortable doing this
>procedure, seek help from someone more familiar with the technical side
>of Windows.
>
>1. Start, Settings, Control Panel, Add/Remove Software.
>
>2. Uninstall Chime for IE, and if present, any other Chime installations
>such as Chime for Netscape. All Chime's should be uninstalled.
>
>3. Start, Run, and enter "regedit" into the slot, then click OK. The
>Registry Editor will open.
>
>4. In the Registry Editor, click Help, Help Topics, Restore the
>Registry. Right click the help text that appears and print it, just in
>case. I have never had to do this, but better safe than sorry.
>
>5. In the Registry Editor, click the [+] next to each of the following
>in the hierarchy of keys. Each click will open the keys encompassed by
>the parent key, enabling you to find the next key to open.
>
>HKEY_LOCAL_MACHINE
> Software
> Microsoft
> Internet Explorer
> Plugins
> Extension
>
>Highlight the last entry, "Extension", and Edit, Delete, confirm
>deletion.
>The following (or something similar) subsumed under Extension will
>thereby be deleted. These keys appear to be responsible for the problem.
>
> "Content Type"="chemical/x-pdb"
> "Version"="2, 6, 0, 8"
> @="Chemscape Chime 2.6 SP3"
> "Location"="C:\\NAVIGATO\\PROGRAM\\PLUGINS\\npchime.dll"
>
>Close the Registry Editor (Registry, Exit, or simply click on the X at
>the upper right corner).
>
>6. Install Chime into IE (and also in Netscape if you have it). (Run the
>Chime installer downloadable from http://www.mdlchime.com)
>
>Repeat the test above for detection of the damaged state. Your IE should
>be repaired, the green spacefilled residue should appear, and Protein
>Explorer 1.922 alpha and other IE-compatible Chime sites should now
>operate on your computer.
>
>-Eric Martz
>
>
>
_________________________________________________________________________
Karen Ocorr, Ph.D.
Biology Department
University of Michigan
Ann Arbor, MI. 48109-1048
Phone: 734/ 647-2470
Fax: 734/ 647-0884
E-mail: kocorr@umich.edu
Home Page: http://biology.lsa.umich/~www/bio310/kohome.html
Web Sites: http://biology.lsa.umich.edu/~www/bio310
http://biology.lsa.umich.edu/~www/bio225Winter/
http://biology.lsa.umich.edu/~www/bio100
_________________________________________________________________________
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References:
++++------+------+------+------+------+------+------+------+------+------+
From: "Peter C. McCluskey"
Subject: Re: rasmol rendering core
Date: Fri, 26 Apr 2002 12:02:02 -0700 (PDT)
To: rasmol@lists.umass.edu
Joel.Dudley@DevelopOnline.com (Joel Dudley) writes:
>I am trying to isolate the rasmol rendering core such that I can place it in
>a DLL (or .so on Linux) and load the library into a Delphi/Kylix application
>so I can provide a rasmol rendering window inside my app. Does anyone have
>experience isolating the rasmol rendering core or know of any source code
>documentation that would aid my efforts? Thank you for reading my post.
I modified Rasmol 2.6 to make a fair amount of the functionality
available in a library form. I didn't end up using it much, and haven't
looked at it for about 1.5 years, so I don't recall clearly how well it
was working.
You can find it in the rasmolapi directory of:
ftp://ftp.openchem.org/openchem0.0.8.tar.gz
--
------------------------------------------------------------------------------
Peter McCluskey | Free Jon Johansen!
http://www.rahul.net/pcm |
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From: Joel Dudley
Subject: RE: rasmol rendering core
Date: Fri, 26 Apr 2002 12:16:03 -0700
To: "'rasmol@lists.umass.edu'"
This message is in MIME format. Since your mail reader does not understand
this format, some or all of this message may not be legible.
--Boundary_(ID_ZToLapuJLKaGedT8roMwjQ)
Peter,
I actually had found the openchem source prior to my post. I had hoped
that I could use large portions of your RasMol DLL code but when I used
dumpbin.exe on your DLL I found that it only exported a single function.
Regardless I was able to get a good idea of which files I needed to include
in my own library which was helpful. I currently have the entire core (2.6)
wrapped up in a DLL. Using Raswin.c as a reference I am creating a Delphi
interface to the library and trying to replace Win32 specific GDI
interactions where I can. Thanks again for replying to my post.
- Joel
-----Original Message-----
Sent: Friday, April 26, 2002 12:02 PM
From: Peter C. McCluskey [mailto:pcm@rahul.net]
Subject: Re: rasmol rendering core
To: rasmol@lists.umass.edu
Joel.Dudley@DevelopOnline.com (Joel Dudley) writes:
>I am trying to isolate the rasmol rendering core such that I can place it
in
>a DLL (or .so on Linux) and load the library into a Delphi/Kylix
application
>so I can provide a rasmol rendering window inside my app. Does anyone have
>experience isolating the rasmol rendering core or know of any source code
>documentation that would aid my efforts? Thank you for reading my post.
I modified Rasmol 2.6 to make a fair amount of the functionality
available in a library form. I didn't end up using it much, and haven't
looked at it for about 1.5 years, so I don't recall clearly how well it
was working.
You can find it in the rasmolapi directory of:
ftp://ftp.openchem.org/openchem0.0.8.tar.gz
--
----------------------------------------------------------------------------
--
Peter McCluskey | Free Jon Johansen!
http://www.rahul.net/pcm |
--Boundary_(ID_ZToLapuJLKaGedT8roMwjQ)
RE: rasmol rendering core
Peter,
I actually had found the openchem source prior to my post. I had hoped that I could use large portions of your RasMol DLL code but when I used dumpbin.exe on your DLL I found that it only exported a single function. Regardless I was able to get a good idea of which files I needed to include in my own library which was helpful. I currently have the entire core (2.6) wrapped up in a DLL. Using Raswin.c as a reference I am creating a Delphi interface to the library and trying to replace Win32 specific GDI interactions where I can. Thanks again for replying to my post.
- Joel
-----Original Message-----
From: Peter C. McCluskey [mailto:pcm@rahul.net]
Sent: Friday, April 26, 2002 12:02 PM
To: rasmol@lists.umass.edu
Subject: Re: rasmol rendering core
Joel.Dudley@DevelopOnline.com (Joel Dudley) writes:
>I am trying to isolate the rasmol rendering core such that I can place it in
>a DLL (or .so on Linux) and load the library into a Delphi/Kylix application
>so I can provide a rasmol rendering window inside my app. Does anyone have
>experience isolating the rasmol rendering core or know of any source code
>documentation that would aid my efforts? Thank you for reading my post.
I modified Rasmol 2.6 to make a fair amount of the functionality
available in a library form. I didn't end up using it much, and haven't
looked at it for about 1.5 years, so I don't recall clearly how well it
was working.
You can find it in the rasmolapi directory of:
ftp://ftp.openchem.org/openchem0.0.8.tar.gz
--
------------------------------------------------------------------------------
Peter McCluskey | Free Jon Johansen!
http://www.rahul.net/pcm |
--Boundary_(ID_ZToLapuJLKaGedT8roMwjQ)--
++++------+------+------+------+------+------+------+------+------+------+
From: Phillip Barak
Subject: Re: Repairing "broken Chime" in IE
Date: Fri, 26 Apr 2002 15:12:20 -0500
To: rasmol@lists.umass.edu
At 12:13 PM 4/25/2002 -0700, you wrote:
>This message pertains to Windows 98, 98SE, 2000, and most likely other
>versions of Windows (but not to Macs). Below, I review how the Chime
>installer can damage your Windows system, rendering many IE-compatible
>Chime sites inoperable on your computer, and I provide a procedure that
>I believe will repair the damage.
>
>My testing of the repair procedure has been limited, so I would greatly
>appreciate hearing from those of you who find you have the damaged
>state. Please let me know whether the procedure corrected it, and
>mention the version of IE (Help, About IE) and version of Windows (right
>click on My Computer, then click Properties).
FYI:
My computer is running IE5.5 sp2, Wink2000 and had Chime 2.6 sp1 installed, and so the Registry indicated. I uninstalled Chime (both NS and IE) using "Add/Remove Program" from the Control Panel. Downloaded Chime 2.6 sp3 from mdlchime and installed for both NS and IE, and checked your AminoAcidQuizzer and it was _not_ broken with IE, according to your suggested tests. I doublechecked the Registry and it still says that what is installed is Chime 2.6 sp1, even after reboot, etc.! And the "about" Chime confirms that it is running sp3. So, even though not functionally "damaged" in IE, it would still appear to have a "sticky" Registry key!
It's a sunny Friday afternoon...Should I fix the Registry key if the plug-in is working?
Phillip Barak
Assoc. Prof., Soil Science
Dept of Soil Science
University of Wisconsin-Madison
1525 Observatory Dr.
Madison, WI 53706-1299
tel: 608-263-5450
fax: 608-265-2595
e-mail: pwbarak@facstaff.wisc.edu
web: http://www.soils.wisc.edu/~barak/
Virtual Museum of Minerals and Molecules: http://www.soils.wisc.edu/virtual_museum/
=========================================
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References: <3CC8556E.8A07A7D6@microbio.umass.edu>
++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: Re: Repairing "broken Chime" in IE
Date: Fri, 26 Apr 2002 18:07:10 -0400
To: rasmol@lists.umass.edu
Cc: pwbarak@facstaff.wisc.edu
At 4/26/02, Phillip Barak wrote:
>So, even though not functionally "damaged" in IE, it would still appear to
have a "sticky" >Registry key!
>
>It's a sunny Friday afternoon...Should I fix the Registry key if the
plug-in is working?
No. I don't recommend messing with the registry unless you are compelled to
do so.
The "broken Chime in IE" problem is very frustrating when it happens:
Protein Explorer, MoLUSC, MOI, and many other Chime sites cannot work at
all in IE, and the usual fixing maneuvers don't correct it. Therefore I
resorted to changing the registry, and thankfully it fixed this problem.
I'm not aware that the sticky keys cause any other problems. I subscribe to
the notion "Don't fix what isn't broken".
By the way, so far I haven't had a single report from someone who DID have
the "broken Chime" in IE problem who has applied the fix. Again, if you
have the problem and do the fix, please tell me (not the list):
1. Did the procedure correct the problem?
2. What is your version number of IE (Help, About IE)?
3. Version of Windows (right click on My Computer, then click Properties)
-- (95, 98, 98SE, 2000, Me, XP, etc.)?
-Eric
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++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: IEEE Vis2002 Meeting/Boston
Date: Mon, 29 Apr 2002 11:05:32 -0400
To: rasmol@lists.umass.edu
Here is a meeting on visualization that may be of interest.
http://vis.computer.org/vis2002/
It is in Boston MA in late October. Some of the submission deadlines have
already passed.
The theme is biomedical and bioinformatics visualization. It is held
jointly with the Information Visualization and Volume Visualization groups
within IEEE.
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: CASP5 announcement
Date: Mon, 06 May 2002 16:21:31 -0400
To: rasmol@lists.umass.edu
pdb-l
-----------------------------------------------------------------------
Dear CASP5 Registrant:
Attached is a public announcement of the CASP5 experiment.
We would appreciate your help in disseminating the information as
widely as possible. So please forward the message to any colleagues or
relevant email lists.
Thanks,
CASP5 organizers.
----------------------------------------------------------------------
Announcing the Fifth Community Wide
------------------------------------
Experiment on the Critical Assessment of
----------------------------------------
Techniques for Protein Structure Prediction
-------------------------------------------
(CASP5)
-------
Introduction
------------
CASP experiments aim at establishing the current state of the
art in protein structure prediction, identifying what progress
has been made, and highlighting where future effort may be most
productively focused.
There have been four previous experiments, in 1994, 1996, 1998
and 2000. Full details of these may be found at the CASP web site,
http://PredictionCenter.llnl.gov/, and in the special issues of
the journal PROTEINS: 23(5), 1995; Suppl 1, 1997, Suppl 3, 1999 and
Suppl 5, 2001. In CASP4, 163 prediction groups from all around the
world took part.
We now announce the fifth experiment. As before, the goal is to
obtain an in-depth and objective assessment of our current abilities
and inabilities in this area. To this end, participants will predict
as much as possible about a set of soon to be known structures.
These will be true predictions, not 'post-dictions' made on already
known structures. Full details will be available at
http://predictioncenter.llnl.gov/casp5.
The experiment will begin in May 2002, when the first prediction
targets will be made available. The prediction season will run
through August. There will be a meeting at the Asilomar Conference
Center in California December 1 - 5th, to discuss the results.
In more detail:
===============
Scope of CASP5 and Related Experiments
--------------------------------------
As in earlier CASPs, all types of methods for predicting protein
structure will be considered, ranging from comparative modeling
through fold recognition and 'new fold' prediction. Most emphasis
will be on tertiary structure prediction but secondary structure
and contact prediction methods will also be included. A new
category, prediction of disordered regions in proteins, will
be introduced. In addition, there will be additional activities
included in CASP5, which will extend the scope substantially:
CAFASP3: In the era of genome sequencing, rapid protein structure
modeling methods have a critical role to play. This experiment,
led by Dani Fischer, will evaluate automatic methods of predicting
protein structure, using the CASP targets. All targets will be
processed through prediction servers that register for the experiment.
Models will be evaluated by the same numerical criteria as used for
CASP5, as well as the CAFASP criteria, and a session at the CASP5
meeting will compare performance through the servers with that
obtained when full human participation is allowed. Further details
of this experiment may be found at:
http://www.cs.bgu.ac.il/~dfischer/CAFASP3/
Large scaling benchmarking: It is hoped that the results of well
run benchmarking experiments such as EVA and LIVEBENCH will also
be included in the CASP meeting and publications.
Ten Most Wanted: Results of the community effort to produce useful
models of ten proteins of particular biological or medical interest
will also be discussed at the meeting.
Experiment
----------
The broad goals of the CASP5 experiment are to address the following
questions about the current state of the art in protein structure
prediction:
1. Are the models produced similar to the corresponding experimental
structure?
2. Is the mapping of the target sequence onto the proposed structure
(i.e. the alignment) correct?
3. Have similar structures that a model can be based on been identified?
4. Are the details of the models correct?
5. Has there been progress from the earlier CASPs?
6. What methods are most effective?
7. Where can future effort be most productively focused?
In addition, CASP5 will focus particularly on areas of prediction that
previous CASPs have shown to be current bottlenecks to progress.
Suggested problem areas are:
1. Alignment of a sequence onto a template fold.
2. Model refinement - improving the accuracy of an initial model.
3. Accurately modeling regions of insertion and deletion relative to
a template structure.
4. Improved fold recognition, particularly for analogous,
analogous/new fold targets.
5. Improved New Fold methods.
6. Bold new methods aimed at removing one of the current bottlenecks
to progress.
To facilitate progress in some of these areas, partly built models will
provided where necessary, for example, correct alignment as a starting
point for loop building, and full approximate models as a starting point
for refinement. The MD community is encouraged to participate, making
use of these starting points.
The set of problem areas may be revised, following discussion with the
consultancy groups. Participants are advised to check for revisions.
Prediction Targets
------------------
For the experiment to succeed, it is essential that we obtain the help
of the experimental community. As in previous CASPs, we will invite
protein crystallographers and NMR spectroscopists to provide details
of structures they expect to have made public before 1st October 2002,
using the target submission form available at
http://PredictionCenter.llnl.gov/casp5.
Prediction targets will be made available through the web site.
All targets will be assigned an expiry date, and predictions must be
received and accepted before that expiration date.
Participation
-------------
Participation is open to all. Intending CASP predictors must register
at the web site: http://PredictionCenter.llnl.gov/casp5
Those interested in receiving mailings concerning progress of the
experiment may also register as 'observers'. CAFASP predictors must
register at that web site. Participation in both experiments (initial
submission of server generated models to CAFASP and subsequent
submission of models based on human interaction to CASP) is encouraged.
Note that separate registrations are required for CASP and CAFASP
participation.
Assessment of Predictions
-------------------------
As in previous CASPs, independent assessors will evaluate the predictions.
There will be three assessors, representing expertise in the comparative
modeling, fold recognition and new fold prediction areas. Assessors
will be provided with the results of numerical evaluation of the
predictions, and will judge the results primarily on that basis.
They will be asked to focus particularly on the effectiveness of
different methods.
As CASP has grown, the work of the assessors has become more and more
demanding. To help them with their task, predictors and target submitters
will be asked to assist in the evaluation of models.
Numerical evaluation criteria will as far as possible be very similar to
those used in CASP4, although the assessors may be permitted to introduce
some additional ones. Appropriate members of the prediction community
will be asked to develop methods of assessing the statistical
significance of performance ranking, a controversial area in the past.
Release of Results
------------------
1. All CASP predictions and evaluations will be made available through
this web site, shortly before the meeting.
2. The proceedings of the meeting will be published. In recent CASPs,
the large number of predictors together with the limited number of
published predictor papers has been one of the main causes of
excessive focus on winners and losers. To combat that, the mix of
papers in the special issue will altered. There will not be a
predefined number of 'winner' group papers. Instead, papers that
focus on problem areas and solutions will be included.
3. In a further change to increase recognition of the contributions
of more predictors, a new web site will be developed, allowing all
participants to report their work if they wish, and encouraging
vigorous discussion of the results.
Meeting
-------
A meeting will be held 1-5 December, 2002 at Asilomar, California, USA
to evaluate the results of the prediction experiment. The meeting will
be limited to about 200 participants and precedence will be given to
active predictors. It is hoped that some financial assistance will be
available for the more successful predictors. It is expected that the
format of the meeting will be changed from previous CASPs, concentrating
more on progress in problem areas, rather than the best performers in
each section, irrespective of whether there has been a significant
change since last time.
Organizing Committee
--------------------
John Moult CARB, UMBI, USA jmoult@tunc.org
Krzysztof Fidelis Lawrence Livermore National Laboratory, USA fidelis@llnl.gov
Adam Zemla Lawrence Livermore National Laboratory, USA adamz@llnl.gov
Tim Hubbard Sanger Centre, Hinxton, UK th@sanger.ac.uk
Support
-------
The organizers gratefully acknowledge support for the CASP5 experiment
from the NIH and the Department of Energy. Additional industrial support
is being sought.
More Information
----------------
Further details will be available at the web site
(http://PredictionCenter.llnl.gov/casp5)
Please address any questions or queries to
casp5@PredictionCenter.llnl.gov
***********************************************************************
Adam Zemla, Ph.D. | E-mail: adamz@llnl.gov
Biology and Biotechnology Research Program | Phone: (925) 423-5571
Lawrence Livermore National Laboratory, L-448 | Fax: (925) 422-2282
7000 East Ave., Livermore, CA 94550, USA | Bldg: 3751, Room: 109
***********************************************************************
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X-Accept-Language: es
++++------+------+------+------+------+------+------+------+------+------+
From: Jordi Oliver
Subject: About mol files
Date: Wed, 08 May 2002 10:22:42 -0500
To: rasmol
Hi,
Is it possible to view a mol file embedded in a html page or open the
file in a script?
I try to do this and it work when I open the html page from my computer
locally but when I upload the page and script in an Apache server
(Linux) it doesn't work.
I define the mol extension in the mime.type configuration
(chemical/x-mdl-molfile mol) of the apache server but the problem
persist.
Thanks in advance,
Jordi Oliver
Lab. Biochemistry and Molecular Biology
University of Balearic Island
E07071 - Palma de Mallorca
http://palou.uib.es/roolpi/docencia/moleculas/
http://palou.uib.es/roolpi/docencia/tbp/tbp.htm
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----------------------------------------------------------------rasmol--
++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: Re: About mol files
Date: Thu, 09 May 2002 12:50:34 -0400
To: rasmol@lists.umass.edu
At 5/8/02, you wrote:
>Hi,
>
>Is it possible to view a mol file embedded in a html page or open the
>file in a script?
>I try to do this and it work when I open the html page from my computer
>locally but when I upload the page and script in an Apache server
>(Linux) it doesn't work.
>I define the mol extension in the mime.type configuration
>(chemical/x-mdl-molfile mol) of the apache server but the problem
>persist.
>
>Thanks in advance,
>
>Jordi Oliver
>Lab. Biochemistry and Molecular Biology
>University of Balearic Island
>E07071 - Palma de Mallorca
>http://palou.uib.es/roolpi/docencia/moleculas/
>http://palou.uib.es/roolpi/docencia/tbp/tbp.htm
Dear Jordi:
The answer is YES. For example, try
http://www.umass.edu/microbio/chime/dna/at.mol
In Netscape, after the molecule appears in Chime, View Page Info, and the
MIME type is confirmed. Double check your MIME setting for an error, and be
sure to restart the http server!
-Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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----------------------------------------------------------------rasmol--
Content-return: allowed
++++------+------+------+------+------+------+------+------+------+------+
From: "Wetzel, Ron B."
Subject: fatal error message / PE 1.922 alpha / IE 5.5
Date: Thu, 09 May 2002 17:25:24 -0400
To: "'rasmol@lists.umass.edu'"
Eric,
As directed here is a message report of a fatal error occurring in the alpha
PE version for IE.
You don't actually request info on what I was doing at the time of the
crash, but here it is if it will help. I'm running on IE 5.5 in Windows
2000. I had my molecule displayed as a backbone and messing around trying
to figure out how to change the color of the molecule and background. I
think I had the molecule color set to 'color->amino acid'. I then chose
'select->change color to->blue' and got the crash. I just repeated the
operation and it went ok, so I don't know what happened to cause the
failure.
I still can't figure out how to change background color - pasting into
powerpoint looks much nicer if the background isn't white. Is this
possible? I looked in the documentation but can't find any hints on this.
Thanks.
(love the software!)
Ron Wetzel
-------------------
Scrambled message report (after Fatal Error):
Error is:
[ERROR:
Msg 2 neither a new gap nor fits an existing gap!]
Message is [Chime script completed.]
[debug_unscramble_tape is disabled]
---------------------
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----------------------------------------------------------------rasmol--
++++------+------+------+------+------+------+------+------+------+------+
From: Eric Martz
Subject: Re: fatal error message / PE 1.922 alpha / IE 5.5
Date: Thu, 09 May 2002 17:46:21 -0400
To: rasmol@lists.umass.edu
At 5/9/02, you wrote:
>Eric,
>As directed here is a message report of a fatal error occurring in the alpha
>PE version for IE.
>
>You don't actually request info on what I was doing at the time of the
>crash, but here it is if it will help. I'm running on IE 5.5 in Windows
>2000. I had my molecule displayed as a backbone and messing around trying
>to figure out how to change the color of the molecule and background. I
>think I had the molecule color set to 'color->amino acid'. I then chose
>'select->change color to->blue' and got the crash. I just repeated the
>operation and it went ok, so I don't know what happened to cause the
>failure.
Thanks, but crashes that can't be reproduced are untraceable and can't be
debugged. This one is probably a subtle timing problem -- several people
have reported it. I'll increase a time delay in the next release by maybe
0.l sec and hopefully it will happen even less often.
>I still can't figure out how to change background color - pasting into
>powerpoint looks much nicer if the background isn't white. Is this
>possible? I looked in the documentation but can't find any hints on this.
>Thanks.
Press the button labeled [Bkg] to toggle white to black or back to white.
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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++++------+------+------+------+------+------+------+------+------+------+
From: "Herbert J. Bernstein"
Subject: HPUX RasMol Binaries for HP computers
Date: Thu, 09 May 2002 22:48:30 -0400 (EDT)
To: rasmol@lists.umass.edu, pdb-l@rcsb.org
We are pleased to announce the availability of compiled versions of RasMol
2.7.1.1 (latest stable release) and RasMol 2.7.2.1 (next test version) for
HP computers running HPUX 11. Both PARISC and IA64 system are supported.
Our thanks to Gabriele Rearick of Hewlett Packard for her assistance and
for making HP computers available for the builds. Gabriele has also
provided a script, hp_supported.ksh, that may be used to identify the
correct version of RasMol (PARISC or IA64) to run under HPUX on your
system.
For more information and download links, see the OpenRasmol page
(http://www.OpenRasMol.org) or go directly to:
http://www.bernstein-plus-sons.com/software/RasMol_2.7.1.1
and
http://www.bernstein-plus-sons.com/software/RasMol_2.7.2.1
Work supported in part by the National Science Foundation under grant
#DBI-0203064.
=====================================================
Herbert J. Bernstein, Professor of Computer Science
Dowling College, Kramer Science Center, KSC 020
Idle Hour Blvd, Oakdale, NY, 11769
+1-631-244-3035
yaya@dowling.edu
=====================================================
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----------------------------------------------------------------rasmol--
++++------+------+------+------+------+------+------+------+------+------+
From: "Herbert J. Bernstein"
Subject: Solaris 2.5.1 RasMol Binaries for older Sun computers
Date: Thu, 09 May 2002 23:03:35 -0400 (EDT)
To: rasmol@lists.umass.edu, pdb-l@rcsb.org
We are pleased to announce the availability of compiled versions
of RasMol 2.7.1.1 (latest stable release) and RasMol 2.7.2.1 (next
test version) for older Sun computers running Solaris 2.5.1, using
gcc as the compiler.
These compilations were created under the auspices of the Accessible
Retired Computers in Biology (ARCiB) project at Dowling College.
The compilations were done using the Solaris 2.5.1 release from the
Solaris Freeware Project (http://www.sunfreeware.com). If your Sun
system does not have gcc, you may need to download the libraries to
run this release of RasMol.
Our thanks to Edward Hawrot of Brown University for donation of a
Sparcserver 670 MP to the ARCiB project. The Sparcserver was used to
compile the Solaris 2.5.1 binaries.
For more information and download links, see the OpenRasmol page
(http://www.OpenRasMol.org) or go directly to:
http://www.bernstein-plus-sons.com/software/RasMol_2.7.1.1
and
http://www.bernstein-plus-sons.com/software/RasMol_2.7.2.1
Work supported in part by the National Science Foundation under grant
#DBI-0203064.
=====================================================
Herbert J. Bernstein, Professor of Computer Science
Dowling College, Kramer Science Center, KSC 020
Idle Hour Blvd, Oakdale, NY, 11769
+1-631-244-3035
yaya@dowling.edu
=====================================================
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From: "Herbert J. Bernstein"
Subject: OpenVMS 6.2 and 7.1 RasMol Binaries
Date: Thu, 09 May 2002 23:10:20 -0400 (EDT)
To: rasmol@lists.umass.edu, pdb-l@rcsb.org
We are pleased to announce the availability of compiled versions
of RasMol 2.7.2.1 RasMol 2.7.2.1 (next test version) for DEC/Compaq
computers running OpenVMS 6.2 (VAX) or OpenVMS 7.1 (AXP) using the
DECC compiler.
These compilations were created under the auspices of the Accessible
Retired Computers in Biology (ARCiB) project at Dowling College.
Our thanks to David Atkinson of Boston University both for remote
access to his AXP system which was used to compile the OpenVMS 7.1
binaries and for the donation of two VAXStations to the ARCiB project.
The VAXStations were used to compile the OpenVMS 6.2 binaries.
For more information and download links, see the OpenRasmol page
(http://www.OpenRasMol.org) or go directly to:
http://www.bernstein-plus-sons.com/software/RasMol_2.7.1.1
and
http://www.bernstein-plus-sons.com/software/RasMol_2.7.2.1
Work supported in part by the National Science Foundation under grant
#DBI-0203064.
=====================================================
Herbert J. Bernstein, Professor of Computer Science
Dowling College, Kramer Science Center, KSC 020
Idle Hour Blvd, Oakdale, NY, 11769
+1-631-244-3035
yaya@dowling.edu
=====================================================
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From: "Tamas E. Gunda"
Subject: Chemical drawing program review
Date: Sat, 11 May 2002 17:35:06 +0200
To: rasmol@lists.umass.edu
Hello everybody,
Those who are interested in chemical drawing programs, my comparative review
on 5 applications (ISIS/Draw, ChemDraw, ChemWindow, ChemSketch and Chemistry
4-D Draw) has been updated and is available at:
http://dragon.klte.hu/~gundat/rajzprogramok/dprog.html
Tamas E. Gunda
-----------------
Dr Tamas E. Gunda
Research Group for Antibiotics
Hungarian Academy of Sciences
University of Debrecen, POB 36
H-4010 Debrecen
Hungary
tamasgunda@tigris.klte.hu
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From: Eric Martz
Subject: bookmark/favorites should use "http:molvisindex.org"
Date: Sat, 11 May 2002 13:49:22 -0400
To: rasmol@lists.umass.edu
Due to server upgrades in progress, the domain name http://molvisindex.org
is temporarily going to a different URL. The service is fully functional,
but if you have bookmarked the old URL (http://molvis.sdsc.edu/visres) it
will not work. If you configure your bookmark to go to
http://molvisindex.org, it will work now, and (hopefully) at all future times.
This is a good idea in general for domain names such as
http://proteinexplorer.org and http://pdblite.org: edit the bookmark to
specify the domain name rather than the URL to which it takes you. The
advantage of domain names is that they can be redirected when servers have
to change.
In Windows, Netscape: Bookmarks, Edit, left-click to select bookmark,
right-click and select Bookmark Properties. Edit the location slot to
contain the domain name.
In Windows, IE: Favorites, Organize Favorites, left-click on the favorite,
right-click on the favorite and then click on Properties. Edit the URL slot
to contain the domain name.
On Macintosh, Netscape: Same as Windows except once you select the
Bookmark, Apple-I gives you access to the editor dialog (if I remember
correctly).
Sorry if anyone has had problems accessing the site in the past few days,
-Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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From: Eric Martz
Subject: temporary problems accessing Protein Explorer
Date: Sun, 12 May 2002 14:04:17 -0400
To: rasmol@lists.umass.edu
Due to a server configuration error, and other unlikely but coincidental
problems, the address http://proteinexplorer.org is temporarily not
working. Until these can be fixed, you can access Protein Explorer at
http://nucleus.sdsc.edu:8079/molvis/protexpl/index.htm
If you don't have a downloaded copy of PE, this would be a good time to
download if you plan to use it in the next few days.
The download link at the above address (3rd link from bottom in the
right-most gray box) will download 1.901 beta.
The IE Compatible Upgrade link there goes to 1.922 alpha, where the
download link gives you 1.922 alpha. I recommend 1.922 alpha because it has
several improvements over 1.901 and works well in both Netscape and IE.
Windows users: don't put the downloaded files (protexpl.exe and shared.exe)
on your desktop! Follow the instructions provided at the download site.
Inadvertantly executing these files on a Windows desktop will create a
major cleanup problem. I hope to provide a better installer in the next
release. (This problem does not affect Macs.)
The present temporary misconfigurations also cause the link to the UMass
copy of 1.901 beta to be hidden. It can be accessed directly at
http://www.umass.edu/microbio/chime/explorer/
This server has a slower link to the Internet, which is why the SDSC URL is
recommended.
Until they are fixed, the present misconfigurations will cause a small
number of links within Protein Explorer (e.g. to some example PDB files) to
fail.
Sorry for any problems you may have encountered, -Eric
----
Eric Martz, Professor (Immunology), Dept Microbiology
Morrill IVN 203, U Mass, Amherst MA US 01003-5720
http://www.umass.edu/molvis/martz
413-545-2325/FAX 413-545-2532 emartz@microbio.umass.edu
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From: Mitch Barker
Subject: Spectra standards
Date: Mon, 13 May 2002 09:05:05 -0400
To: rasmol@lists.umass.edu
We're developing an application which will need to display a variety of
spectra. We're developing based on our experience with EZ-Chrom but I'm
wondering if there is a more general vendor neutral approach. I found
JCAMP. Is that still actively used or developed? (The apparently main
JCAMP website hadn't been updated since 1998).
How about XML formats? Anyone use or know about CMLSpect? Are any of
these ready for use by a commercial package?
Thanks.
Mitch
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From: Eric Martz
Subject: Re: Question
Date: Mon, 13 May 2002 16:57:49 -0400
To: Brian White
Cc: rasmol@lists.umass.edu, chime-team@mdli.com
At 5/13/02, you wrote:
>Eric -
> I remember that you once showed me a chime (?) interface on the PC
>that allowed you to bend & twist a structure & see the various
>attractions & repulsions. Does this ring a bell? Is it somewhere on
>the rasmol home page?
>
>THANKS
>
>Brian
>--
>Prof. Brian White
>Biology Department
>University of Massachusetts, Boston
>100 Morrissey Blvd
>Boston MA 02125
>(617) 287-6630
>fax:(617) 287-6650
>brian.white@umb.edu
>http://omega.cc.umb.edu/~bwhite/
Hi, Brian,
You are probably remembering Sculpt, an energy minimization program
acquired a few years ago by MDL and now sold by them. Free Chime has a free
Sculpt "teaser" built-in. It isn't very functional because it has only
mouse dragging to control it, and you can't save a reconfigured coordinate
file. But is pretty to look at, and could be useful in an educational
setting. For example, load something small like 1AL1. Click on MDL, then
Sculpt Mode. Now, if you click and drag an atom, it will "pull" on it while
doing dynamic energy minimization. If you click on an atom in the middle of
the structure, and jiggle back and forth, you can minimize the whole
structure, sort of. There is no option in Chime to just turn on
minimization and let it run, like there is in the commercial version of
Sculpt. MDL used to have an example on their Chime website, but I can't
find any examples there anymore, or in fact any mention of Sculpt (if you
use MDL's search, you find nothing). My recollection is that red baskets
represent steric clashes, red dots represent repulsions, and cyan dots
represent attractions.
MDL has a commercial Sculpt site (http://www.mdl.com/products/sculpt.html)
with tutorials and some screenshots and movies.
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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From: Mitch Barker
Subject: Lightweight mol file rendering software
Date: Mon, 20 May 2002 09:05:46 -0400
To: rasmol@lists.umass.edu
Can anyone point me to some example source code for simple display of
mol files. I just need the basics. Language doesn't matter since we'll
probably port to c#. I'm just looking for a simple fast display, not
intended for "visualization", but a simple graphical representation of a
chemical.
Thanks.
Mitch
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From: Karen Ocorr
Subject: RE: Repairing "broken Chime" in IE
Date: Mon, 20 May 2002 13:51:18 -0400
To: rasmol@lists.umass.edu
-----Original Message-----
[mailto:owner-rasmol@lists.umass.edu]On Behalf Of Karen Ocorr
Sent: Friday, April 26, 2002 2:39 PM
From: owner-rasmol@lists.umass.edu
Subject: Re: Repairing "broken Chime" in IE
To: rasmol@lists.umass.edu
THANKS!!
Karen
At 12:13 PM 4/25/2002 -0700, you wrote:
>This message pertains to Windows 98, 98SE, 2000, and most likely other
>versions of Windows (but not to Macs). Below, I review how the Chime
>installer can damage your Windows system, rendering many IE-compatible
>Chime sites inoperable on your computer, and I provide a procedure that
>I believe will repair the damage.
>
>My testing of the repair procedure has been limited, so I would greatly
>appreciate hearing from those of you who find you have the damaged
>state. Please let me know whether the procedure corrected it, and
>mention the version of IE (Help, About IE) and version of Windows (right
>click on My Computer, then click Properties).
>
>Most if not all Chime sites work in Netscape. If you can use Netscape
>for Chime sites, you probably don't need to repair IE's ability to work
>with Chime. In some institutions and teaching computer labs, it is not
>permitted to install Netscape -- in these cases, the repair procedure
>below should allow you to use all IE-compatible Chime sites. (Many older
>Chime sites were developed for Netscape and have not been upgraded to
>work in IE, including many that I authored.)
>
>THE PROBLEM
>
>Yesterday I reported that if the very first installation of Chime on a
>Windows system is directed into Netscape only (not Internet Explorer,
>IE), while IE 5.0 is present, IE's ability to communicate command
>scripts to Chime (after Chime is subsequently installed into IE) is
>permanently broken. Upgrading IE, uninstalling/reinstalling Chime,
>repairing or reinstalling IE all fail to correct this "damaged IE"
>condition, which prevents the operation of Protein Explorer in IE as
>well as many other IE-compatible Chime sites. For further details,
>consult yesterday's message in the list history at
>ftp://marlin.bio.umass.edu/pub/shareware/rasmol/email-history/00ReadMe.html
>
>(click on "current", wait for all of it to load, and go to the bottom).
>
>DETECTION OF THE PROBLEM
>
>The "damaged IE" condition can be detected by going to
>http://www.umass.edu/microbio/chime/quizzer/index.htm, and clicking on
>the link "Amino Acid Quizzer". If, despite Chime having been installed
>into IE, you see a white rectangle in the left frame with a "missing
>plugin" icon, and no molecule displays, you have the damaged state. (You
>can confirm that Chime was installed for IE: Start, Settings, Control
>Panel, Add/Remove Software: if "Chime for IE" appears on the list, it
>was installed.) If a black rectangle appears in the Amino Acid Quizzer,
>and a wireframe protein molecule displays automatically, then proceed to
>enter the number "1" into the slot. If, after pressing the Enter key, a
>spacefilled bright green residue does NOT appear, you have the damaged
>state. If the green spacefilled residue appears, your system is OK.
>
>REPAIR PROCEDURE
>
>Caution: this procedure involves editing the Windows Registry, and
>though unlikely if the procedure is followed carefully, could possibly
>render your computer unbootable. Backup critical files first, and be
>sure you have a bootable rescue diskette (on Windows 98, Start,
>Settings, Control Panel, Add/Remove Programs, then click the Startup
>Disk tab; can someone please tell me how to create one on Win2000?
>Microsoft hasn't made it easy to find!).
>
>PROCEED AT YOUR OWN RISK. If you are not comfortable doing this
>procedure, seek help from someone more familiar with the technical side
>of Windows.
>
>1. Start, Settings, Control Panel, Add/Remove Software.
>
>2. Uninstall Chime for IE, and if present, any other Chime installations
>such as Chime for Netscape. All Chime's should be uninstalled.
>
>3. Start, Run, and enter "regedit" into the slot, then click OK. The
>Registry Editor will open.
>
>4. In the Registry Editor, click Help, Help Topics, Restore the
>Registry. Right click the help text that appears and print it, just in
>case. I have never had to do this, but better safe than sorry.
>
>5. In the Registry Editor, click the [+] next to each of the following
>in the hierarchy of keys. Each click will open the keys encompassed by
>the parent key, enabling you to find the next key to open.
>
>HKEY_LOCAL_MACHINE
> Software
> Microsoft
> Internet Explorer
> Plugins
> Extension
>
>Highlight the last entry, "Extension", and Edit, Delete, confirm
>deletion.
>The following (or something similar) subsumed under Extension will
>thereby be deleted. These keys appear to be responsible for the problem.
>
> "Content Type"="chemical/x-pdb"
> "Version"="2, 6, 0, 8"
> @="Chemscape Chime 2.6 SP3"
> "Location"="C:\\NAVIGATO\\PROGRAM\\PLUGINS\\npchime.dll"
>
>Close the Registry Editor (Registry, Exit, or simply click on the X at
>the upper right corner).
>
>6. Install Chime into IE (and also in Netscape if you have it). (Run the
>Chime installer downloadable from http://www.mdlchime.com)
>
>Repeat the test above for detection of the damaged state. Your IE should
>be repaired, the green spacefilled residue should appear, and Protein
>Explorer 1.922 alpha and other IE-compatible Chime sites should now
>operate on your computer.
>
>-Eric Martz
>
>
>
_________________________________________________________________________
Karen Ocorr, Ph.D.
Biology Department
University of Michigan
Ann Arbor, MI. 48109-1048
Phone: 734/ 647-2470
Fax: 734/ 647-0884
E-mail: kocorr@umich.edu
Home Page: http://biology.lsa.umich/~www/bio310/kohome.html
Web Sites: http://biology.lsa.umich.edu/~www/bio310
http://biology.lsa.umich.edu/~www/bio225Winter/
http://biology.lsa.umich.edu/~www/bio100
_________________________________________________________________________
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From: Eric Martz
Subject: Re: Mutant Proteins
Date: Thu, 23 May 2002 19:14:37 -0400
To: Buzz Hoagland
Cc: rasmol@lists.umass.edu
At 5/22/02, Buzz Hoagland wrote:
>Eric,
>
>I am looking for a mutant protein to help students visualize the central
>dogma of molecular biology. I have used normal beta globin and sickle
>globin, but now I am searching for a protein that has a mutation which
>dramatically alters its structure. Of course there also needs to be a pdb
>file of both the normal and mutated version of the protein. Do you know of
>any proteins that meet these criteria?
>
>Thanks for any help you can offer.
>
>Buzz Hoagland
>Westfield State College
>
Hi, Buzz,
I looked for such a case a few years ago and found none. I think it is
quite rare for a mutation to dramatically alter 3D structure. In lysozyme,
every residue has been mutated, and few if any have dramatic effects on
structure (see review publications of Brian Matthews). So I gave up and
settled for normal vs. sickle hemoglobin (where the big effect is protein
chain formation thru a hydrophobic surface residue). If you find such a
case, let me know!
I'm copying this to the MolVis Freeware/RasMol list in case someone has
suggestions. If nothing turns up, I suggest posting your question on the
PDB list (see Discussions at http://molvisindex.org).
Regards, -Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
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++++------+------+------+------+------+------+------+------+------+------+
From: Sydney Shall
Subject: RE: Mutant Proteins
Date: Fri, 24 May 2002 15:07:44 +0100
To: "'rasmol@lists.umass.edu'"
--Boundary_(ID_rxZ1Lyg6kx8EmmBgGnQ67g)
Perhaps you could try the ras protein. I have not myself checked that the mutant structure is in the pdb files, but it may well be. You need to look for the mutant at residue 13, which has a dramatic, but secondary effect on the active site, via an intervening alpha helix. Good luck
Sydney
Professor Sydney Shall. Department of Molecular Medicine, GKT [King's College] School of Medicine, The Rayne Institute, 123 Coldharbour Lane, London, SE5 9NU, LONDON. Tel:+44 0207 848 5901.
Sydney.shall@kcl.ac.uk
-----Original Message-----
Sent: Friday, May 24, 2002 12:15 AM
From: Eric Martz [SMTP:emartz@microbio.umass.edu]
Subject: Re: Mutant Proteins
To: Buzz Hoagland
Cc: rasmol@lists.umass.edu
At 5/22/02, Buzz Hoagland wrote:
>Eric,
>
>I am looking for a mutant protein to help students visualize the central
>dogma of molecular biology. I have used normal beta globin and sickle
>globin, but now I am searching for a protein that has a mutation which
>dramatically alters its structure. Of course there also needs to be a pdb
>file of both the normal and mutated version of the protein. Do you know of
>any proteins that meet these criteria?
>
>Thanks for any help you can offer.
>
>Buzz Hoagland
>Westfield State College
>
Hi, Buzz,
I looked for such a case a few years ago and found none. I think it is
quite rare for a mutation to dramatically alter 3D structure. In lysozyme,
every residue has been mutated, and few if any have dramatic effects on
structure (see review publications of Brian Matthews). So I gave up and
settled for normal vs. sickle hemoglobin (where the big effect is protein
chain formation thru a hydrophobic surface residue). If you find such a
case, let me know!
I'm copying this to the MolVis Freeware/RasMol list in case someone has
suggestions. If nothing turns up, I suggest posting your question on the
PDB list (see Discussions at http://molvisindex.org).
Regards, -Eric
/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
The Protein Explorer: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
World Index of Molecular Visualization Resources: http://molvisindex.org
PDB Lite molecule finder: http://pdblite.org
Molecular Visualization EMail List:
http://www.umass.edu/microbio/rasmol/raslist.htm
Eric Martz, Professor (Immunology), Dept Microbiology
U Mass, Amherst MA US 413-545-2325/FAX 413-545-2532
http://www.umass.edu/molvis/martz
- - - - - - - - - - - - - - - - - - - - - - - - - - - */
++++------+------+------+------+------+------+------+------+------+------+
From: cxhedg
Subject: RCPT: RE: Mutant Proteins
Date: Fri, 24 May 2002 10:18:21 -0500
To: rasmol@lists.umass.edu
*** Confirmation of Registered Mail ***
Your message sent to cxhedg has been read.
Return Receipt Notification
---------------------------
Perhaps you could try the ras protein. I have not myself checked that the mutant structure is in the pdb files, but it may well be. You need to look for the mutant at residue 13, which has a dramatic, but secondary effect on the active site, via
an intervening alpha helix. Good luck
Sydney
Professor Sydney Shall. Department of Molecular Medicine, GKT [King's College] School of Medicine, The Rayne Institute, 123 Coldharbour Lane, London, SE5 9NU, LONDON. Tel:+44 0207 848 5901.
Sydney.shall@kcl.ac.uk
-----Original Message-----
From: Eric Martz [SMTP:emartz@microbio.umass.edu]
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++++------+------+------+------+------+------+------+------+------+------+
From: Todd Carlson
Subject: IE problems
Date: Fri, 24 May 2002 14:42:22 -0400
To: rasmol@lists.umass.edu
Hi all
I put together this page, taking care to make sure it works even if the buttons are pressed in the wrong order. It works fine in Netscape 4.x. It even works in IE, if you push the buttons in the correct order.
But if you push the buttons in the wrong order in IE, none of the scripts work. Reloading the page doesn't fix it. I have to close IE and open it again for it to work.
Any suggestion?
Thanks
Todd Carlson
Grand Valley State University
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From: Paul Pillot
Subject: Re: IE problems
Date: Sat, 25 May 2002 06:19:33 +0200
To: rasmol@lists.umass.edu
Is it possible to know the adress of "this page" or to know which commands
are being used in the scripts ?
Such errors might occur in IE when chime requests for a file that doesn't
exists, or that it can't find. The only solution is then to close IE and
open it again.
Paul Pillot
----- Original Message -----
Sent: Friday, May 24, 2002 8:42 PM
From: "Todd Carlson"
Subject: IE problems
To:
> Hi all
>
> I put together this page, taking care to make sure it works even if the
buttons are pressed in the wrong order. It works fine in Netscape 4.x. It
even works in IE, if you push the buttons in the correct order.
> But if you push the buttons in the wrong order in IE, none of the scripts
work. Reloading the page doesn't fix it. I have to close IE and open it
again for it to work.
>
> Any suggestion?
>
> Thanks
>
> Todd Carlson
> Grand Valley State University
>
>
>
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From: Eric Martz