sc::VDWShape(3) MPQC sc::VDWShape(3)NAME
sc::VDWShape - The VDWShape class describes the surface of a molecule
as the union of atom centered spheres, each the van der Waals radius of
the atom.
SYNOPSIS
#include <molshape.h>
Inherits sc::UnionShape.
Public Member Functions
VDWShape (const Ref< Molecule > &)
VDWShape (const Ref< KeyVal > &)
void initialize (const Ref< Molecule > &)
Additional Inherited Members
Detailed Description
The VDWShape class describes the surface of a molecule as the union of
atom centered spheres, each the van der Waals radius of the atom.
Author
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Version 2.3.1 Fri Feb 19 2016 sc::VDWShape(3)
