VoidsPenaltyEnergy.cc File Reference

An EnergyMethod intended for packing, which penalizes solutions in which the total volume to fill differs greatly from the total volume of the current set of rotamers. More...

#include <core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyEnergy.hh>
#include <core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyEnergyCreator.hh>
#include <core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyVoxelGrid.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/conformation/symmetry/SymmetryInfo.fwd.hh>
#include <core/pose/symmetry/util.hh>
#include <basic/citation_manager/CitationCollection.hh>
#include <basic/citation_manager/CitationManager.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/pointer/owning_ptr.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::pack
	core::pack::guidance_scoreterms
	core::pack::guidance_scoreterms::voids_penalty_energy

Macros
#define	ENERGY_MULTIPLIER   0.01

Functions
static basic::Tracer	core::pack::guidance_scoreterms::voids_penalty_energy::TR ("core.pack.voids_penalty_energy.VoidsPenaltyEnergy")

Detailed Description

An EnergyMethod intended for packing, which penalizes solutions in which the total volume to fill differs greatly from the total volume of the current set of rotamers.

This energy method is inherently not pairwise decomposible. However, it is intended for very rapid calculation, and has been designed to plug into Alex Ford's modifications to the packer that permit it to work with non-pairwise scoring terms.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

Macro Definition Documentation

ENERGY_MULTIPLIER

#define ENERGY_MULTIPLIER   0.01