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Old 11-20-2011, 02:30 PM
Sébastien Buchoux
 
Default Bug#649390: ITP: python-mdanalysis -- MDAnalysis is a Python library to analyze and manipulate molecular dynamics trajectories.

Package: wnpp
Severity: wishlist
Owner: "Sébastien Buchoux" <sebastien.buchoux@gmail.com>


* Package name : python-mdanalysis
Version : 0.7.4
Upstream Author : Sébastien Buchoux <sebastien.buchoux@gmail.com> (Packaging, see http://code.google.com/p/mdanalysis/people/list
for complete list of authors)
* URL : http://code.google.com/p/mdanalysis
* License : GPL 2
Programming Lang: Python
Description : MDAnalysis is a Python library to analyze and manipulate molecular dynamics trajectories.

MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics
trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.

It allows one to read molecular dynamics trajectories and access the atomic
coordinates through numpy arrays. This provides a flexible and relatively fast
framework for complex analysis tasks. In addition, CHARMM-style atom selection
commands are implemented. Trajectories can also be manipulated (for instance,
fit to a reference structure) and written out.



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