mdtraj

Name	mdtraj JSON
Version	1.9.9 JSON
	download
home_page	http://mdtraj.org
Summary	MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
upload_time	2023-07-22 15:20:55
maintainer
docs_url	None
author	Robert McGibbon
requires_python
license	LGPLv2.1+
keywords
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage

            MDTraj is a python library that allows users to manipulate molecular dynamics
(MD) trajectories and perform a variety of analyses, including fast RMSD,
solvent accessible surface area, hydrogen bonding, etc. A highlight of MDTraj
is the wide variety of molecular dynamics trajectory file formats which are
supported, including RCSB pdb, GROMACS xtc, tng, and trr, CHARMM / NAMD dcd, AMBER
binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.

            

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