Name: mdtraj
Owner: MDTraj
Description: A modern, open library for the analysis of molecular dynamics trajectories
Created: 2012-11-08 22:01:24.0
Updated: 2018-01-16 16:05:36.0
Pushed: 2018-01-15 18:57:39.0
Homepage: www.mdtraj.org
Size: 41272
Language: C
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Read, write and analyze MD trajectories with only a few lines of Python code.
With MDTraj, you can
pdb
, xtc
, trr
, dcd
, binpos
, netcdf
, mdcrd
, prmtop
, …)For details, see the website at mdtraj.org. To get involved, take a look at the github issue tracker and/or the user forums discourse.mdtraj.org.
MDTraj is research software. If you make use of MDTraj in scientific publications, please cite it. The BibTeX reference is
icle{McGibbon2015MDTraj,
author = {McGibbon, Robert T. and Beauchamp, Kyle A. and Harrigan, Matthew P. and Klein, Christoph and Swails, Jason M. and Hern{\'a}ndez, Carlos X. and Schwantes, Christian R. and Wang, Lee-Ping and Lane, Thomas J. and Pande, Vijay S.},
title = {MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories},
journal = {Biophysical Journal},
volume = {109},
number = {8},
pages = {1528 -- 1532},
year = {2015},
doi = {10.1016/j.bpj.2015.08.015}
GNU LGPL version 2.1, or at your option a later version of the license. Various sub-portions of this library may be independently distributed under different licenses. See those files for their specific terms.