Fast algorithm for generating CPK images on graphics workstations

Area of Science:

• Computational chemistry
• Computer graphics
• Molecular modeling

Background:

• Generating realistic 3D molecular images, such as Corey-Pauling-Koltun (CPK) visualizations, is crucial for understanding molecular structures.
• Traditional methods can be computationally intensive, particularly in handling the occlusion of atoms (hidden-surface problem).

Purpose of the Study:

• To present an efficient algorithm for generating CPK images of molecules.
• To address the hidden-surface problem in molecular visualization using bitmap operations.

Main Methods:

• The algorithm utilizes bitmap operations to solve the hidden-surface problem.
• It assumes atom size and shading depend solely on atom type.
• Predrawn bitmaps of atom disks are used, with intersections calculated to generate masks for displaying only visible portions.

Main Results:

• The algorithm effectively generates CPK images by managing atom visibility through bitmap masking.
• Predrawing atom disk bitmaps and projecting atoms from back to front enhances rendering speed.

Conclusions:

• The developed algorithm provides an efficient method for CPK image generation.
• Bitmap operations offer a viable solution for the hidden-surface problem in molecular visualization.