On 31.10.2007, at 05:13, DeLano Scientific wrote:
The only way to accomplish this at present is to write a
crystallographic
map in one of the supported formats (XPLOR ASCII, CCP4 binary, or
DSN6/BRIX)
and then read that map into PyMOL.
Is any of these format documented somewhere? For XPlor, I have enough
information for reading such a file, but I am lacking documentation
for some fields, so I don't know what to put there. For CCP4, I found
a rudimentary documentation of the C library that creates map files,
but the API documentation is insufficient by itself (it doesn't say
how the data must be arranged in the various arrays and data
structures). For DSN6, I didn't find anything at all.
Konrad.
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hin...@cnrs-orleans.fr
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