MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
Project description
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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| Filename, size & hash SHA256 hash help | File type | Python version | Upload date |
|---|---|---|---|
| mdtraj-1.9.1.tar.gz (2.0 MB) Copy SHA256 hash SHA256 | Source | None | Sep 4, 2017 |
