MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
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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| File Name & Checksum SHA256 Checksum Help | Version | File Type | Upload Date |
|---|---|---|---|
| mdtraj-1.8.0.tar.gz (19.8 MB) Copy SHA256 Checksum SHA256 | – | Source | Nov 9, 2016 |
| mdtraj-1.8.0.zip (20.2 MB) Copy SHA256 Checksum SHA256 | – | Source | Nov 9, 2016 |
