table of contents
| sc::DiscreteConnollyShape(3) | MPQC | sc::DiscreteConnollyShape(3) |
NAME¶
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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| Fri Dec 2 2022 | Version 2.3.1 |