AACompositionEnergySetup.cc File Reference

A helper for the EnergyMethod that penalizes deviation from a desired amino acid composition. More...

#include <core/scoring/aa_composition_energy/AACompositionEnergySetup.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/pose/Pose.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/score.OptionKeys.gen.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>
#include <ObjexxFCL/string.functions.hh>
#include <cmath>

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::aa_composition_energy

Functions
static basic::Tracer	core::scoring::aa_composition_energy::TR ("core.scoring.aa_composition_energy.AACompositionEnergySetup")

Detailed Description

A helper for the EnergyMethod that penalizes deviation from a desired amino acid composition.

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).