RasMol/Raster 3D question
bernard at elsie.nci.nih.gov
Mon Mar 11 01:17:30 EST 1996
I'm using RasMol 2.5 under Windows 3.1 and am hoping to colour
parts of molecules by manipulation of PDB format files. One possible
way is to change the temperature factors and then tell RasMol to
colour according to this value. However, in the RasMol manual it
claims that a "user" colour coding can be applied and this involves
reading the COLOr field of the Raster3D extension to the standard PDB
Could anyone please tell me what the format for that field is?
I had a look at the RasMol source code and couldn;t spot anything
obvious (I don't read C very fluently). I had a look at the "official"
specs for the PDB format but they don't acknowledge any extensions.
Hopefully this is a field that can be inserted in each ATOM line of
a PDB format file without disturbing the rest of the data (eg. after
column 66) (or am I being too naiive?).
Any pointers gratefully received,
Bernard Murray, Ph.D.
bernard at elsie.nci.nih.gov (National Cancer Institute, NIH, Bethesda MD, USA)
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