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mdtraj

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A modern, open library for the analysis of molecular dynamics trajectories

Installation

To install this package, run one of the following:

Conda
$conda install tonigi::mdtraj

Usage Tracking

1.9.7
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Downloads (Last 6 months): 0

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.

About

Summary

A modern, open library for the analysis of molecular dynamics trajectories

Last Updated

Apr 12, 2023 at 11:41

License

LGPL-2.1-or-later

Supported Platforms

linux-ppc64le