DEPC_MS_Energy.cc File Reference

Score term that uses DEPC MS labeling data for Ser, Thr, and Tyr residues to reward based on SASA value, labeling status, and number of hydrophobic neighboring residues and for labeled His and Lys residues to reward based on SASA value. Corroborates with 2021 manuscript by Biehn, Limpikirati, Vachet, and Lindert. More...

#include <core/energy_methods/DEPC_MS_Energy.hh>
#include <core/energy_methods/DEPC_MS_EnergyCreator.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/sasa/util.hh>
#include <core/pose/Pose.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/ContextGraphTypes.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreType.hh>
#include <basic/datacache/CacheableData.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/io/izstream.hh>
#include <basic/options/keys/OptionKeys.hh>

Classes
struct	core::energy_methods::CacheableSasaVector

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

Typedefs
typedef utility::pointer::shared_ptr< CacheableSasaVector const >	core::energy_methods::CacheableSasaVectorCOP

Functions
static basic::Tracer	TR ("core.energy_methods.DEPC_MS_Energy")

Detailed Description

Score term that uses DEPC MS labeling data for Ser, Thr, and Tyr residues to reward based on SASA value, labeling status, and number of hydrophobic neighboring residues and for labeled His and Lys residues to reward based on SASA value. Corroborates with 2021 manuscript by Biehn, Limpikirati, Vachet, and Lindert.

Author

Sarah Biehn (biehn.nosp@m..4@o.nosp@m.su.ed.nosp@m.u) with help from Sten Heinze (heinz.nosp@m.e.18.nosp@m.@osu..nosp@m.edu)

Function Documentation

TR()

static basic::Tracer TR ( "core.energy_methods.DEPC_MS_Energy"  )

static