Bug#642586: ITP: mmtk -- The molecular modeling toolkit

Picca Frédéric-Emmanuel picca at synchrotron-soleil.fr
Sat Sep 24 08:05:13 UTC 2011


Package: wnpp
Severity: wishlist
Owner: "Picca Frédéric-Emmanuel" <picca at synchrotron-soleil.fr>

Dear Maintainer,

* Package name    : mmtk
  Version         : 2.7.5
  Upstream Author : Konrad Hinsen <konrad.hinsen at synchrotron-soleil.fr>
* URL             : http://dirac.cnrs-orleans.fr/MMTK/
* License         : CeCILL-C
  Programming Lang: C, Python
  Description     : The molecular modeling toolkit

 The Molecular Modeling Toolkit (MMTK) is a library for molecular
 simulation applications. It provides the most common methods in
 molecular simulations (molecular dynamics, energy minimization,
 normal mode analysis) and several force fields used for biomolecules
 (Amber 94, Amber 99, several elastic network models). MMTK also
 serves as a code basis that can be easily extended and modified to
 deal with non-standard situations in molecular simulations.


this will be a dependency for nMOLDYN http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/





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