python3-MDAnalysis Subpackage of python-MDAnalysis

MDAnalysis is a python framework to analyze molecular dynamics trajectories generated by CHARMM, NAMD, LAMMPS, or Gromacs. It is mainly useful for geometric analyses, as there is no implemented potential model. It is inspired by the Schulten Group's MDtools for python, and the source for the DCD reading code is derived from VMD. MDAnalysis isGPL licensed, except for the dcd reading code (UIUC Open Source Licence) which comes from VMD (and is GPL-compatible). Gromacs trajectories are utilizing the Gromacs libxdrfile library (GPL). MDAnalysis exposes trajectory data transparently as NumPy arrays and as such it is easily extensible.

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