[gmx-users] please, how edr data is xdr packed?

Sander Pronk pronk at cbr.su.se
Mon Aug 23 09:56:26 CEST 2010

As David said, the reading/writing is done in src/gmxlib/enxio.c, but you could also read edr files indirectly through gmxdump: that should also give you an idea of the type of information in those files.

On Aug 22, 2010, at 13:14 , Alan Wilter Sousa da Silva wrote:

> Hi there,
> I am trying to use python xdrlib module to read edr files but not knowing how the data is packed using the xdr protocol makes my work very difficult, if not impossible.
> Would someone kindly tell me how data is packed in the edr file? Or where it is the gromacs code so I can try to figure out a way?
> I've read http://tools.ietf.org/html/rfc1832.html and for reference, see topic "6. AN EXAMPLE OF AN XDR DATA DESCRIPTION".
> My other option would be using a parsing code to read g_energy output but this seems very silly.
> Many thanks in advance,
> Alan
> -- 
> Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
> Department of Biochemistry, University of Cambridge. 
> 80 Tennis Court Road, Cambridge CB2 1GA, UK.
> >>http://www.bio.cam.ac.uk/~awd28<<
> -- 
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