Computer Graphics and Molecular Modeling

T.E. Ferrin and T.E. Klein

Computer Graphics Laboratory
University of California
San Francisco, CA 94143-0446

ABSTRACT

Numerical results are inherent to computational chemistry, but to the human eye, these numbers alone are almost incomprehensible. It is an old cliche that ``a picture is worth a thousand words,'' but nothing could be closer to the truth in the field of molecular graphics. The human mind can quickly grasp spatial relationships when presented in visual form through models, but if left in their original form, columns upon columns of numerical data will have little meaning to even the most astute scientist.

This chapter in The Encyclopedia of Computational Chemistry describes some of the history of molecular graphics hardware and software, and illustrates how the use of computer graphics and molecular modeling has done much to advance the field of computational chemistry and enlighten the mind of the curious scientist.


tef@cgl.ucsf.edu / June 1998