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Old 05-16-2012, 12:44 PM
Steffen Moeller
 
Default Bug#673139: ITP: jgromacs -- library for trajectory analysis in molecular dynamics

Package: wnpp
Severity: wishlist
Owner: Steffen Moeller <steffen_moeller@gmx.de>

* Package name : jgromacs
Version : 1.0
* URL : http://nanomed.bioch.ox.ac.uk/jgromacs/
* License : GPL3
Programming Lang: Java
Description : library for trajectory analysis in molecular dynamics

JGromacs is a Java library designed to facilitate the development
of cross-platform analysis applications for Molecular Dynamics (MD)
simulations. The package contains parsers for file formats applied by
GROMACS (GROningen MAchine for Chemical Simulations), one of the most
widely used MD simulation packages.
.
JGromacs provides a multilevel object-oriented representation of
simulation data to integrate and interconvert sequence, structure
and dynamics information. In addititon, a basic analysis toolkit is
included in the package. The programmer is also provided with simple
tools (e.g. XML-based configuration) to create applications with a user
interface resembling the command-line UI of Gromacs applications.

Packaging instructions live on
http://anonscm.debian.org/viewvc/debichem/unstable/jgromacs

Steffen



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