[Debichem-devel] Bug#649390: ITP: python-mdanalysis -- MDAnalysis is a Python library to analyze and manipulate molecular dynamics trajectories.

[Michael Banck]

Hi Sébastien,

On Sun, Nov 20, 2011 at 04:30:08PM +0100, Sébastien Buchoux wrote:
> Package: wnpp
> Severity: wishlist
> Owner: "Sébastien Buchoux" <sebastien.buchoux at gmail.com>
> 
> 
> * Package name    : python-mdanalysis
>   Version         : 0.7.4
>   Upstream Author : Sébastien Buchoux <sebastien.buchoux at 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.

If you want, you are welcome to maintain it as part of the Debichem
team, either in subversion or git.  In any case, we would like to add
the package to the molecular dynamics task for Debichem (something we
have to rethink anyway) once it is in Debian.

Are you a Debian Developer, or do you need a sponsor?


Cheers,

Michael