Van der Waals Surfaces in Molecular Modeling: Implementation with Real-Time Computer Graphics

See allHide authors and affiliations

Science  23 Dec 1983:
Vol. 222, Issue 4630, pp. 1325-1327
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.