[Molvis-list] listing of internal coordinates
Eric Germaneau
eric.germaneau at epfl.ch
Fri Mar 14 08:31:20 EDT 2008
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
/ Please consider the environment before printing this email.
Considérez svp l'environnement avant d'imprimer cet email. /
More information about the Molvis-list
mailing list