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