Re: ANN: MDAnalysis python library

From: nmichaud_at_jhu.edu
Date: Tue Nov 13 2007 - 16:42:06 CST

Sorry to spam the list again, but there were some problems with getting
everything up on the google code site (plus a mistake on my part where
I uploaded a gzipped tar file, but the file extension was .tar).

Also, I've added documentation to the google code site, so that people
can get a sense of the uses of the library before playing with it.

For the 10 or so people who downloaded the library, they should get the
newest version, which should compile out of the box on linux and OS X
(as long as numpy is installed).

http://mdanalysis.googlecode.com/

Naveen Michaud-Agrawal

---------------------------------------------------------------------
Naveen Michaud-Agrawal
Program in Molecular Biophysics
Johns Hopkins University
(410) 614 4435

On Mon, 12 Nov 2007 nmichaud_at_jhu.edu wrote:

>
> === 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
>
> ---------------------------------------------------------------------
> Naveen Michaud-Agrawal
> Program in Molecular Biophysics
> Johns Hopkins University
>

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