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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section10


429. Molecular Surface Program

by Michael Connolly, Department of Biophysics, University of California, Berkeley, California 94720

This program calculates a surface of a molecule given the coordinates of its atoms, the Van der Waals radii for the atoms and the radius of a "probe".

The definition of the term "molecular surface" is the one introduced by F. M. Richards in the Annual Reviews of Biophysics and Bioengineering (1977), pp. 151-176. Specifically, the surface consists of two parts, the so-called "contact" surface and the re-entrant surface.

FORTRAN 77 (VAX 11/780) Lines of Code: 2099


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