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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- Code Locations:
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http://mdanalysis.googlecode.com...
- Licenses:
- GPL-2.0+
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- Managers:
- moradi
In a Nutshell, mdanalysis...
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took an estimated 11 years of effort (COCOMO model)
starting with its first commit in January, 2008
ending with its most recent commit over 1 year ago
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30 Day Summary Apr 19 2013 — May 19 2013
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12 Month Summary May 19 2012 — May 19 2013
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©
2013
Black Duck Software, Inc.
and its contributors, Some Rights Reserved. Unless otherwise marked, this work is licensed under a
Creative Commons Attribution 3.0 Unported License
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Black Duck Software, Inc.
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