[ghemical-devel] GUI for GAMESS

Jan H. Jensen jhjensen@blue.weeg.uiowa.edu
Fri, 20 Aug 2004 15:23:34 -0500

The University of Iowa Quantum chemistry group has made several 
improvements to the Ghemical program 
http://www.uku.fi/~thassine/ghemical/, many of which may be of 
particular interest to the users of the quantum chemistry program 

Software can be downloaded from http://www.uiowa.edu/~ghemical/ and include:

1. A Windows version of Ghemical (using Cygwin).
Ghemical already works on linux and MacOS X machines, and links to 
these versions can also be found on the web page.

2. Windows and Linux versions of Ghemical-GMS 1.01 (a MacOSX version 
should be available soon).

Ghemical-GMS contains an extra set of menus for creating GAMESS input files.
The linux version also allows for the submission and queuing of 
GAMESS jobs using the new GTK-Gamess program.

3. A linux version of GTK-Gamess 1.0 (Windows and MacOSX versions 
should be available soon).  GTK-GAMESS is a program for the 
submission and queuing of GAMESS jobs.  It can be used independently 
of Ghemical-GMS.

Ghemical can extract the geometry from GAMESS output files, but 
cannot yet display plots of MOs, density, or vibrational modes.  We 
hope to add these capabilities in future releases.  We also hope that 
Ghemical and Ghemical-GMS will merge in future releases.

All programs are open source C++ programs.  If you find and fix bugs 
in these programs we would appreciate if you would share them.

Jan H. Jensen				Associate Professor
Department of Chemistry			jan-jensen@uiowa.edu
University of Iowa			Phone:(319) 335-1108
Iowa City, IA 52242			FAX:  (319) 335-1270
http://www.uiowa.edu/~mbiophys (Molecular Biophysics @ UI)