sc_DiscreteConnollyShape man page

sc::DiscreteConnollyShape — DiscreteConnollyShape and ConnollyShape should produce the same result.

Synopsis

#include <molshape.h>

Inherits sc::UnionShape.

Public Member Functions

DiscreteConnollyShape (const Ref< KeyVal > &)

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

Additional Inherited Members

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

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Info

Fri May 6 2016 Version 2.3.1 MPQC