Re: [gmx-users] please, how edr data is xdr packed?
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<< > -- > gmx-users mailing listgmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] please, how edr data is xdr packed?
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. sp...@xray.bmc.uu.sehttp://folding.bmc.uu.se -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] please, how edr data is xdr packed?
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<< -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
