[Molvis-list] listing of internal coordinates

[Eric Germaneau]

Dear Eric,

your are right, I shall investigate this way.

Regards,

                     Eric.

Eric Martz wrote:
> Dear Eric,
>
> I think your question is more likely to get an answer on the pdb-l:
> http://www.pdb.org/pdb/static.do?p=education_discussion/discussion_forum/index.html
>
> Good luck, -Eric
>
> At 3/14/08, Eric Germaneau wrote:
>   
>> Dear all,
>>
>> I'm looking for a program or an algorithm which output all :
>>
>> * bonds
>> * valence angles
>> * dihedral angles
>> * improper dihedral angles
>> * inversion angles
>> * out of plans
>>
>> for a given molecule.
>>
>> Or a free program which set amber atom type from a pdb or xyz structure.
>>
>> Do you have an idea?
>> Thanks in advance,
>>
>>                                                            Eric.
>> --
>> / Vivre dans la conscience du Tao
>> Se libérer du mental
>> <http://www.souffledor.fr/boutique/produits.php?cat=&id=2982>/ ---
>> Thierry Chaïbli ---
>>
>> Dr. Éric Germaneau <http://dantian.free.fr>
>> Ecole polytechnique fédérale de Lausanne (EPFL)
>> FSB - IPMC
>> Laboratoire de Cristallographie (LCr) <http://lcr.epfl.ch>
>> BSP 518
>> CH-1015 Lausanne
>> Switzerland
>> eric.germaneau at epfl.ch <mailto:eric.germaneau at epfl.ch>
>> /Tel./: +41 (0)21 / 693 06 36
>> /Fax./: +41 (0)21 / 693 05 04
>> /msn/: aihaike at hotmail.com
>> /skype/: aihaike
>>
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>>
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>
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-- 
/ Vivre dans la conscience du Tao
Se libérer du mental
<http://www.souffledor.fr/boutique/produits.php?cat=&id=2982>/ --- 
Thierry Chaïbli ---

Dr. Éric Germaneau <http://dantian.free.fr>
Ecole polytechnique fédérale de Lausanne (EPFL)
FSB - IPMC
Laboratoire de Cristallographie (LCr) <http://lcr.epfl.ch>
BSP 518
CH-1015 Lausanne
Switzerland
eric.germaneau at epfl.ch <mailto:eric.germaneau at epfl.ch>
/Tel./: +41 (0)21 / 693 06 36
/Fax./: +41 (0)21 / 693 05 04
/msn/: aihaike at hotmail.com
/skype/: aihaike

/ Please consider the environment before printing this email.
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