mgltools-sff 1.5.6~rc1+cvs.20110617-1 source package in Ubuntu
Changelog
mgltools-sff (1.5.6~rc1+cvs.20110617-1) unstable; urgency=low * New upstream version. -- Ubuntu Archive Auto-Sync <email address hidden> Fri, 24 Jun 2011 10:23:56 +0000
Upload details
- Uploaded by:
- Ubuntu Archive Auto-Sync
- Uploaded to:
- Oneiric
- Original maintainer:
- Debian Med
- Architectures:
- any
- Section:
- science
- Urgency:
- Low Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| mgltools-sff_1.5.6~rc1+cvs.20110617.orig.tar.gz | 49.1 KiB | 2652359de97b48794fb4d886508ccfa3dd249fde5cc6fb1b6420f22c61b3131b |
| mgltools-sff_1.5.6~rc1+cvs.20110617-1.debian.tar.gz | 5.1 KiB | b7750f0b58b667ded961aa91e42de91e34210424b207746b85b04104dd28a1ed |
| mgltools-sff_1.5.6~rc1+cvs.20110617-1.dsc | 1.6 KiB | fcb29d62d7e87436c4087848c89ce45af816ac633306c456a3717a48351f7493 |
Available diffs
Binary packages built by this source
- mgltools-sff: 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.
