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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MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
We found that mdtraj demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 6 open source maintainers collaborating on the project.
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