MDAnalysis

Description

MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD) simulations in many popular formats.

More information

Included extensions

GridDataFormats-0.6.0, gsd-2.5.1, MDAnalysis-2.2.0, mmtf-python-1.1.2, msgpack-1.0.3

Availability

Module NIC5 Hercules2 Dragon2 Lemaitre3 Dragon1
MDAnalysis/2.2.0-intel-2021b