sc_VDWShape (3) - Linux Man Pages

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 > &)

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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