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Analyzed 5 days ago. based on code collected 5 days ago.

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.

Tags

analysis bioinformatics charmm dcd gromacs lammps moleculardynamics namd python science simulations timeseries xtc

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In a Nutshell, mdanalysis...

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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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Languages

Languages?height=75&width=75
Python
92%
C
8%
4 Other
<1%

30 Day Summary

Mar 16 2021 — Apr 15 2021

12 Month Summary

Apr 15 2020 — Apr 15 2021
  • 250 Commits
    Down -74 (22%) from previous 12 months
  • 43 Contributors
    Down -1 (2%) from previous 12 months

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