[Debian-med-packaging] mgltools-sff_1.5.2.cvs.20080731-1_amd64.changes is NEW
Debian Installer
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Fri Aug 1 11:37:21 UTC 2008
(new) mgltools-sff_1.5.2.cvs.20080731-1.diff.gz optional non-free/science
(new) mgltools-sff_1.5.2.cvs.20080731-1.dsc optional non-free/science
(new) mgltools-sff_1.5.2.cvs.20080731-1_amd64.deb optional non-free/science
Simple Force Field for Python
This package is part of the mgltools set of Python libraries which
provide an infrastructure for the analysis of protein structures and
their docking of chemical compounds.
.
It implements an Amber force field with an interface to a molecular
dynamics engine. SFF stands for simple force field. It is a C
implementation of the amber force field made by Tom Macke and David Case.
.
This package exposes a wrapped version of the prm structure which holds the
Amber parameters needed for an Amber calculation. It also exposes the mme
and md functions to perform molecular mechanics and dynamics respectively.
(new) mgltools-sff_1.5.2.cvs.20080731.orig.tar.gz optional non-free/science
Changes: mgltools-sff (1.5.2.cvs.20080731-1) unstable; urgency=low
.
* Initial release, contributes to closing ITP #458811.
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