CCL: AminoAcid Rotamer Analysis

 Sent to CCL by: "Konrad  Hinsen" [hinsen^^cnrs-orleans.fr]
 On 13.10.2007, at 01:57, Cesar Millan pachequin:-:gmail.com wrote:
 > Hi everyone! I have a couple of protein dynamics made by CHARMM (dcd
 format)
 > and I want to do a dihedral analysis of the aminoacids on my protein. I
 knew a
 > program called Dials and Windows that could this kind of analysis, but it
 only
 > runs on SGI machines.
 > Does anyone knows any free software that could realize this kind of
 > analysis on linux machines?
 The Molecular Modelling Toolkit, available freely at
 	http://dirac.cnrs-orleans.fr/MMTK/
 lets you write this kind of analysis programs in a few lines of Python code.
 What it does for you is
 reading the trajectory file and calculating the dihedral angles. What you have
 to do yourself is plug
 these two actions together and decide about the formatting of the output. Once
 you have some
 experience with MMTK, it will take you less time to write your analysis program
 than to search for
 an existing one.
 --
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 Konrad Hinsen
 Centre de Biophysique Molculaire, CNRS Orlans
 Synchrotron Soleil - Division Expriences
 Saint Aubin - BP 48
 91192 Gif sur Yvette Cedex, France
 Tel. +33-1 69 35 97 15
 E-Mail: hinsen,+,cnrs-orleans.fr
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