Project Summary
MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, NAMD, LAMMPS, or Gromacs.
It allows one to read molecular dynamics trajectories and access the atomic coordinates through numpy arrays. This provides a flexible and relatively fast framework for complex analysis tasks. In addition, CHARMM-style atom selection commands are implemented. Trajectories can also be manipulated (for instance, fit to a reference structure) and written out.
Some time-critical routines are written in C or Cython and require a working C compiler.
MDAnalysis comes with an expanding library of analysis functions such as RMSD-fitting or analysis of lipid membrane bilayers.
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In a Nutshell, mdanalysis...
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has a well established, mature codebase
maintained by a very large development team
with stable Y-O-Y commits -
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took an estimated 25 years of effort (COCOMO model)
starting with its first commit in January, 2008
ending with its most recent commit about 15 hours ago
Quick Reference
GNU General Public License v2.0 or later
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These details are provided for information only. No information here is legal advice and should not be used as such.
This Project has No vulnerabilities Reported Against it
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30 Day SummaryDec 23 2025 — Jan 22 2026
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12 Month SummaryJan 22 2025 — Jan 22 2026
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