Abstract
The rendering on personal computers of photorealistic images of molecular graphics models by means of available public-domain ray-tracer programs is addressed. A computer program that generates the script files needed for rendering high-quality images by one of the best known ray-tracers, POVRAY, is presented and its features discussed. The program, named MOL2POV, allows the easy selection of various molecular models (sticks only, balls&sticks, space-filling CPK models) including distinct definitions of molecular surfaces (van der Waals, solvent accessible). MOL2POV can read Brookhaven's Protein Data Bank (PDB format) file and its allows a number of options to colour the molecular graphics according to the information to be emphasized in the model. A selection of eight high-resolution ray-traced images for molecular systems ranging from a small polyatomic molecule with 20 atoms to a DNA/protein complex with near 2000 atoms are displayed.
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