BioinformaticsBiophysical JournalPeer-reviewed
MDTraj: a modern, open library for the analysis of molecular dynamics trajectories
Robert T McGibbon, Kyle A Beauchamp, Christian R Schwantes…·Vijay S Pande
MDTraj is a software package for analyzing molecular dynamics trajectories, offering RMSD, DSSP, and order parameter calculations with Python interoperability.
DOI 10.1016/j.bpj.2015.08.015