sc::DiscreteConnollyShape Class Reference
DiscreteConnollyShape and
ConnollyShape should produce the same result.
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#include <molshape.h>
List of all members.
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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.
The documentation for this class was generated from the following file: