FICHA · AUR
python-mdanalysis
An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
- Molecular dynamics analysis toolkit
- LIBRARY
- SCIENCE
- Dependency only
· official+codex · reviewed · Jun 3, 2026 description in en
Molecular dynamics trajectories from CHARMM, Gromacs, NAMD, LAMMPS, or Amber can be analyzed from Python. Computational scientists use MDAnalysis for atom selections, trajectory processing, measurements, and simulation workflows. Scientific conclusions depend on force fields, sampling, and documented analysis choices.
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