[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.
-- 
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Dr. Éric Germaneau <http://dantian.free.fr>
Ecole polytechnique fédérale de Lausanne (EPFL)
FSB - IPMC
Laboratoire de Cristallographie (LCr) <http://lcr.epfl.ch>
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eric.germaneau at epfl.ch <mailto:eric.germaneau at epfl.ch>
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