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conda-forge / packages / mdtraj 1.10.0

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

copied from cf-staging / mdtraj

Installers

Info: This package contains files in non-standard labels.
  • osx-64 v1.10.0
  • osx-arm64 v1.10.0
  • linux-64 v1.10.0
  • win-64 v1.10.0
  • win-32 v1.9.1

conda install

To install this package run one of the following:
conda install conda-forge::mdtraj
conda install conda-forge/label/cf201901::mdtraj
conda install conda-forge/label/cf202003::mdtraj
conda install conda-forge/label/gcc7::mdtraj
conda install conda-forge/label/mdtraj_rc::mdtraj

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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