https://bugzilla.redhat.com/show_bug.cgi?id=1189015
Bug ID: 1189015
Summary: Review Request: python-MDAnalysis - Analyze and
manipulate molecular dynamics trajectories
Product: Fedora
Version: rawhide
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Spec URL:
https://rathann.fedorapeople.org/review/python-MDAnalysis/python-MDAnalysis.spec
SRPM URL:
https://rathann.fedorapeople.org/review/python-MDAnalysis/python-MDAnalysis-0.8.1-1.fc21.src.rpm
Description:
MDAnalysis is a python framework to analyze molecular dynamics trajectories
generated by CHARMM, NAMD, LAMMPS, or Gromacs. It is mainly useful for
geometric
analyses, as there is no implemented potential model.
It is inspired by the Schulten Group's MDtools for python, and the source for
the DCD reading code is derived from VMD. MDAnalysis isGPL licensed, except for
the dcd reading code (UIUC Open Source Licence) which comes from VMD (and is
GPL-compatible). Gromacs trajectories are utilizing the Gromacs libxdrfile
library (GPL). MDAnalysis exposes trajectory data transparently as NumPy arrays
and as such it is easily extensible.
Fedora Account System Username: rathann
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