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

Marc Baaden baaden at smplinux.de
Fri Apr 23 17:20:03 CEST 2004

oliver at biop.ox.ac.uk said:
>>  I was thinking about the gOpenMol plt format for 3D array data 
>> you could use the xfarbe format
>> if there emerges a common standard for writing this kind of data then
>> I would happily use it

There *is* a common standard .. eh two I mean:

 [1] netCDF
 [2] HDF5

it is the XML of binary data so to speak. But for some reason the 
computational chemistry/biology community largely ignores that standard widely 
used eg in climate or weather research and other scientific fields.
The only software I am aware of that uses the format is the [3] MMTK toolkit
and the [4] GridZilla but it would be soo nice for eg all the electrostatics 
programs to have a common standard readable by all off-the shelf visualization 
packages... moan .. moan ..

NB: note that eg xmgrace *does* read netcdf format !

  Marc Baaden

[1] http://www.unidata.ucar.edu/packages/netcdf/
[2] http://hdf.ncsa.uiuc.edu/HDF5/
[3] http://starship.python.net/crew/hinsen/MMTK/
[4] http://www.h-dm.com/ModelzillaProject/GridZilla/
 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

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