| sc::VDWShape(3) | MPQC | sc::VDWShape(3) |
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.
#include <molshape.h>
Inherits sc::UnionShape.
VDWShape (const Ref< Molecule > &)
VDWShape (const Ref< KeyVal > &)
void initialize (const Ref< Molecule > &)
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.
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| Sun Oct 4 2020 | Version 2.3.1 |