from Jack E. Bowie (ed.) Data Visualization in Molecular Science
(QD461.D22 1995):At the heart of visualization is the
representation of numeric data in pictorial form. In molecular science,
data may come from acquisition, as in the case of X-ray crystallography
and NMR, or from simulation, as in computing the folding structure of a
new molecule. The resulting pages and pages of numbers are transformed,
through the use of graphics and imaging techniques, into pictures that
can better represent the underlying phenomena: catalysts represented in
three dimensions, molecular interactions directly visualized, biological
'docking' of molecules interactively modeled, and new molecules designed
to have maximal therapeutic effect. (3)