Molecule location question

Cristal cristal at cybercable.tm.fr
Wed Jul 5 12:46:22 EST 2000


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/








More information about the Xtal-log mailing list