Re: CCL:C source for dihedral angles

From: hinsen |-at-| dirac.cnrs-orleans.fr
Subject: Re: CCL:C source for dihedral angles
Date: Thu, 27 Jan 2000 17:24:15 +0100

>   can anybody refer me to some C source code for calculating dihedral
 > angles.
 Pick up the Molecular Modeling Toolkit source code at
    http://starship.python.net/crew/hinsen/MMTK/
 or
    http://dirac.cnrs-orleans.fr/MMTK/
 and look at the file Src/bonded.c. The routine
 cosine_dihedral_evaluator() (at the end of the file) calculated
 dihedral angles and Amber-style dihedral potential terms from atomic
 positions. It OpenSource code, so you can freely use it in your own
 projects.
 --
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