Welcome to MDAnalysis User Guide’s documentation!

MDAnalysis version: 0.20.1

Last updated: Oct 27, 2019

MDAnalysis (www.mdanalysis.org) is an object-oriented python toolkit to analyze molecular dynamics files and trajectories generated by CHARMM, Gromacs, Amber, NAMD, LAMMPS, DL_POLY and other packages (see Formats for full information). MDAnalysis can write most of these formats, too, together with atom selections for use in Gromacs, CHARMM, VMD and PyMol (see selection-exporters). It uses Numpy arrays to provide a flexible and relatively fast framework for complex analysis tasks.