MDTraj: a modern, open library for the analysis of molecular dynamics trajectories
Robert T McGibbon, Kyle A Beauchamp, Christian R Schwantes, Lee-Ping Wang, Carlos X Hernández, Matthew P Harrigan, Thomas J Lane, Jason M Swails, Vijay S Pande
MDTraj is a software package for analyzing molecular dynamics trajectories, offering RMSD, DSSP, and order parameter calculations with Python interoperability.
Biophysical Journal · Oct 1, 2015Peer-reviewedBioinformatics