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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/EnergyMethod.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/pose/Pose.hh>
#include <utility/numbers.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/aa_composition_energy/SequenceConstraint.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <core/conformation/Conformation.hh>
#include <core/pose/symmetry/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.hh>
#include <basic/database/open.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <utility/string_util.hh>
#include <utility/file/file_sys_util.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

#define ENERGY_MULTIPLIER   0.01