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Science. 1983 Dec 23;222(4630):1325-7.

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

Abstract

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.

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