Molecule location question

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1 total messages Started by Cristal Wed, 05 Jul 2000 00:00

#107

Author: Cristal
Date: Wed, 05 Jul 2000 00:00

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Hello,

Is there some open source code (or part of code) allowing
to locate automatically where can occur possible variation of
torsion angles in a given molecule ? How are treated these
torsion angles : simple rotation around a rigid bond, or by
considering rotation around a cone. Thanks.

--
Armel Le Bail
http://www.cristal.org/

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