[gmx-developers] Extending Matrix data formats (xpm + others ...)
baaden at smplinux.de
Fri Apr 23 12:39:41 CEST 2004
>>> "Berk Hess" said:
>> Currently there is no general way to do this.
>> One could let the xpm writing calls (optionally) write some
>> ohter format, but you would also like to have the additional
>> file options in the programs.
Yep. I agree.
>> But there are not that many files that write xpm's and even less
>> files that write xpm's that one might want to read with other software.
>> Which programs were you thinking of?
I haven't exhaustively checked everything, but I had in mind things like:
g_mdmat (simple distance matrices, or with -frames a 3D field)
g_rms (RMSD matrix)
g_enemat (energy matrix, maybe also field as f(time)?)
g_covar (covariance matrix)
do_dssp (matrix of ss as f(t))
Also, matrix data is not the only data I am interested in. Basically anything
that is 2D or higher, like field/density data.
I am currently playing around with the netcdf format and opendx to get a
clearer picture of what I want in the end.
Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris
mailto:baaden at smplinux.de - http://www.marc-baaden.de
FAX: +49 697912 39550 - Tel: +33 15841 5176 ou +33 609 843217
More information about the gromacs.org_gmx-developers