[Blends-commit] r2973 - /projects/debichem/trunk/debichem/tasks/modelling

[tille at users.alioth.debian.org]

Author: tille
Date: Wed Oct 12 14:26:30 2011
New Revision: 2973

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=2973
Log:
Added mmtk and nMOLDYN

Modified:
    projects/debichem/trunk/debichem/tasks/modelling

Modified: projects/debichem/trunk/debichem/tasks/modelling
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/modelling?rev=2973&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/modelling (original)
+++ projects/debichem/trunk/debichem/tasks/modelling Wed Oct 12 14:26:30 2011
@@ -8,3 +8,24 @@
 Depends: ghemical
 
 Depends: pymol
+
+Depends: mmtk
+Homepage: http://dirac.cnrs-orleans.fr/MMTK/
+License: CeCILL-C
+Language: C, Python
+WNPP: 642586
+Responsible: Picca Frédéric-Emmanuel <picca at synchrotron-soleil.fr>
+Pkg-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.
+
+Depends: nmoldyn
+Homepage: http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/
+Pkg-Description: interactive analysis program for Molecular Dynamics simulations
+ nMOLDYN is especially designed for the computation and decomposition of neutron
+ scattering spectra, but also computes other quantities.