From: nmichaud_at_jhu.edu
Date: Mon Nov 12 2007 - 16:01:11 CST
=== What is MDAnalysis ===
MDAnalysis is python framework to analyze molecular dynamics trajectories
generated by Charmm and NAMD. It is currently only useful for geometric
analyses, as there is no implemented potential model (although I would
like to wrap MDEnergy).
It is inspired by the Schulten Group's MDtools for Python (from which it
borrows the DCD reading code). MDAnalysis is GPL licensed, except for the
dcd reading code (UIUC Open Source Licence) which comes from VMD (and is
GPL-compatible). MDAnalysis exposes trajectory data transparently as numpy
arrays and as such it is easily extensible.
=== More Information ===
If you would like more information about MDAnalysis, including where to
download the source distribution, visit MDAnalysis's home on the web:
http://mdanalysis.googlecode.com
If you have any questions about MDAnalysis, please contact me.
Cheers,
Naveen Michaud-Agrawal
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Naveen Michaud-Agrawal
Program in Molecular Biophysics
Johns Hopkins University
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