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Analyzed about 3 hours ago. based on code collected about 18 hours 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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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

Python
93%
C
7%
2 Other
<1%

30 Day Summary

Jan 27 2024 — Feb 26 2024

12 Month Summary

Feb 26 2023 — Feb 26 2024
  • 244 Commits
    Down -170 (41%) from previous 12 months
  • 46 Contributors
    Down -9 (16%) from previous 12 months

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