[MMTK] MMTK 2.5.3

konrad.hinsen at laposte.net konrad.hinsen at laposte.net
Tue Jan 18 18:18:53 CET 2005


A new development release of MMTK, 2.5.3, is available now at the  
standard locations. In addition to the Amber 99 force field, it  
contains a new feature that has been requested many times: the  
possibility to manipulate internal coordinates of molecules. This is  
implemented in the new module MMTK.InternalCoordinates. There are also  
convience functions for modifying the most common dihedral angles in  
peptide chains: MMTK.Proteins.Residue.phiAngle,  
MMTK.Proteins.Residue.psiAngle, and MMTK.Proteins.Residue.chiAngle.  
Finally, the example Proteins/rotamers.py provides an illustration of  
how this can be used.

As always, feedback is welcome.

Konrad.
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Konrad Hinsen
Laboratoire Leon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: hinsen at llb.saclay.cea.fr
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