[gmx-developers] Extending Matrix data formats (xpm + others ...)

[Marc Baaden]

>>> "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.

Cheers,
Marc

-- 
 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.marc-baaden.de
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