[Debichem-devel] Bug#962440: ITP: mdanalysis -- analyse molecular dynamics files and trajectories

Drew Parsons dparsons at debian.org
Mon Jun 8 06:30:17 BST 2020


Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dparsons at debian.org>

* Package name    : mdanalysis
  Version         : 0.20.1
  Upstream Author : O. Beckstein and team
* URL             : https://www.mdanalysis.org/
* License         : GPL
  Programming Lang: Python
  Description     : analyse molecular dynamics files and trajectories


Enhances application of lammps, gromacs, and other molecular dynamics
simulation suites.

Complements or competes with pymatgen and mdtraj. We need them all
installable in order to be able to test which one is most useful for a
given project.

To be maintained under the Debichem Team.



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