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

[David van der Spoel]

On 2010-08-22 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.
src/gmxlib/enxio.c
>
> 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<<
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se