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, tng, and trr, CHARMM / NAMD dcd, AMBER binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.

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  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPLv2.1+)
  • Author: Robert McGibbon
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Release history Release notifications | RSS feed

1.10.1

1.10.0

1.10.0rc2 pre-release

1.10.0rc1 pre-release

1.9.9

1.9.8

1.9.7

This version

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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