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Old 07-03-2012, 01:38 PM
Steffen Moeller
 
Default Bug#680087: ITP: openmm -- library for molecular dynamics

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

* Package name : openmm
Version : 4.1
* URL : https://simtk.org/home/openmm_suite
* License : custom
Programming Lang: C++, Python
Description : library for molecular dynamics

OpenMM is a library which provides tools for modern molecular modeling
simulation. As a library it can be hooked into any code, allowing that
code to do molecular modeling with minimal extra coding.
.
Moreover, OpenMM has a strong emphasis on hardware acceleration, thus
providing not just a consistent API, but much greater performance than
what one could get from just about any other code available.

A package is 2/3rd complete on
http://anonscm.debian.org/viewvc/debichem/experimental/openmm/debian/
lacking python packages and various smaller bits like watch files.



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