SYNOPSIS

#include <molshape.h>

Inherits sc::UnionShape.

Public Member Functions

DiscreteConnollyShape (const Ref< KeyVal > &)

void initialize (const Ref< Molecule > &, double probe_radius)

Detailed Description

DiscreteConnollyShape and ConnollyShape should produce the same result.

The discrete version is a shape union of discrete subshapes and is slower. These classes describe the solvent accessible surface of a molecule.

Author

Generated automatically by Doxygen for MPQC from the source code.