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612. CPKPDB: Space-Filling Image Generator for Brookhaven
Protein Data Bank Files
by M. Forster, Informatics Laboratory, National
Institute for Biological Standards and Control, Blanche
Lane, South Mimms, Hertfordshire EN6 3QG, England
This program generates space-filled (cpk) images of
molecules whose coordinates are stored as Brookhaven
Protein Data Bank files. The program was developed
primarily to render images of large molecules of the
order of 10,000+ in size and for which commercial
modelling software was found to be inadequate. It is
curently being used to display the heavy atoms of the
polio virus capsid in which the capsid contains 50,000+
alpha carbons only.
This system uses the Silicon Graphics GL library calls.
It should compile and run on the IBM RS/6000 as well as
the Silicon Graphics Personal IRIS.
The graphics window size is currently 640x640 and can
not be resized. Only diffuse reflection is currently
dealt with and the light vector has fixed coordinates
of 1,1,1. Source code modification would be required
to change this.
NOTE:This system will only be delivered on a DC
6150 tape cartridge as it is useful only on the
type of workstation which uses this kind of
cartridge.
Lines of Code: 1200
C (Silicon Graphics) with GL Library
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