Van der waals surfaces in molecular modeling: implementation with real-time computer graphics

Science. 1983 Dec 23;222(4630):1325-7. doi: 10.1126/science.222.4630.1325.


A method is described for generating van der Waals molecular surfaces with a real-time interactive calligraphic color display system. These surfaces maintain their proper representation during bond rotation and global transformations, and an interior atom removal method yields a comprehensible picture of the molecular surface for large molecules. Both algorithms are faster than previous methods. This combination provides a powerful tool for real-time interactive molecular modeling.