MDTraj: A modern, open library for the analysis of molecular dynamics trajectories

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  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPLv2.1+)
  • Author: Robert McGibbon
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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, and trr, CHARMM / NAMD dcd, AMBER AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.

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Avatar for jeremyleung521 from gravatar.com jeremyleung521 Avatar for marscher from gravatar.com marscher Avatar for mattwthompson from gravatar.com mattwthompson Avatar for mpharrigan from gravatar.com mpharrigan Avatar for rmcgibbo from gravatar.com rmcgibbo Avatar for sukritsingh from gravatar.com sukritsingh

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  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPLv2.1+)
  • Author: Robert McGibbon
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1.10.1

1.10.0

1.10.0rc2 pre-release

This version

1.10.0rc1 pre-release

1.9.9

1.9.8

1.9.7

1.9.6

1.9.5

1.9.4

1.9.3

1.9.2

1.9.1

1.8.0

1.7.2

1.6.1

1.6.0

1.5.1

1.5.0

1.4.2

1.4.1

1.4.0

1.3.0

1.2.0

1.1.0

1.0.0

0.9.0

0.8.0

0.7.0

0.6.1

0.6.0

0.5.1

0.5.0

0.4.3

0.4.1

0.4.0

0.3.1

0.3

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