9 lines
505 B
Plaintext
9 lines
505 B
Plaintext
MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics
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trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
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It allows one to read molecular dynamics trajectories and access the atomic
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coordinates through numpy arrays. This provides a flexible and relatively fast
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framework for complex analysis tasks. In addition, CHARMM-style atom selection
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commands are implemented. Trajectories can also be manipulated (for instance,
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fit to a reference structure) and written out.
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