py-MDAnalysis

v 2.0.0 Updated: 2 years, 12 months ago

An object-oriented toolkit to analyze molecular dynamics trajectories

An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. It also reads other formats (e.g. PDB files and XYZ format trajectories. It can write most of the coordinate formats, too, together with atom selections for use in Gromacs, CHARMM, VMD and PyMOL.

An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. It also reads other formats (e.g. PDB files and XYZ format trajectories. It can write most of the coordinate formats, too, together with atom selections for use in Gromacs, CHARMM, VMD and PyMOL.

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https://www.mdanalysis.org/

Installable ports: