An object-oriented library to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.

Installers

Info: This package contains files in non-standard labels.

conda install

  • linux-64  v0.19.2
  • osx-64  v0.19.2
  • win-64  v0.19.2
To install this package with conda run one of the following:
conda install -c conda-forge mdanalysis
conda install -c conda-forge/label/gcc7 mdanalysis
conda install -c conda-forge/label/broken mdanalysis
conda install -c conda-forge/label/cf201901 mdanalysis

Description

MDAnalysis is a Python library to analyze trajectories from molecular dynamics (MD) simulations. It can read and write most popular formats, and provides a flexible and fast framework for writing custom analysis through making the underlying data easily available as NumPy arrays.

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