InterfaceAnalyzerMover.cc File Reference

InterfaceAnalyzerMover implementation - class for in-depth interface quality analysis. More...

#include <protocols/analysis/InterfaceAnalyzerMover.hh>
#include <protocols/analysis/InterfaceAnalyzerMoverCreator.hh>
#include <core/conformation/Conformation.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/sasa.hh>
#include <core/scoring/sc/ShapeComplementarityCalculator.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/jd2/JobOutputter.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculator2.hh>
#include <core/pose/metrics/simple_calculators/InterfaceNeighborDefinitionCalculator.hh>
#include <core/pose/metrics/simple_calculators/InterfaceSasaDefinitionCalculator.hh>
#include <core/pose/metrics/simple_calculators/InterfaceDeltaEnergeticsCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/NumberHBondsCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/InterGroupNeighborsCalculator.hh>
#include <protocols/toolbox/task_operations/RestrictByCalculatorsOperation.hh>
#include <core/scoring/packstat/compute_sasa.hh>
#include <protocols/simple_moves/PackRotamersMover.hh>
#include <protocols/rosetta_scripts/util.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <basic/MetricValue.hh>
#include <basic/options/keys/packstat.OptionKeys.gen.hh>
#include <utility/file/FileName.hh>
#include <utility/string_util.hh>
#include <utility/tag/Tag.hh>
#include <sstream>
#include <numeric>
#include <core/util/SwitchResidueTypeSet.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>
#include <core/chemical/ChemicalManager.fwd.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::analysis

Functions
static thread_local basic::Tracer	TR ("protocols.analysis.InterfaceAnalyzerMover")
static thread_local basic::Tracer	TRinterface ("protocols.analysis.InterfaceAnalyzerMover.interface_selection")
static thread_local basic::Tracer	TRhbonds ("protocols.analysis.InterfaceAnalyzerMover.missing_hbonds")
std::ostream &	which_ostream (std::ostream &ost, std::ostream &oss, bool const tracer)
	stupid helper function needed because ternary operator does not allow variable return types More...

Detailed Description

InterfaceAnalyzerMover implementation - class for in-depth interface quality analysis.

Author

Steven Lewis, Bryan Der, Ben Stranges, Jared Adolf-Bryfogle

Function Documentation

static thread_local basic::Tracer TR ( "protocols.analysis.InterfaceAnalyzerMover"  )

static

static thread_local basic::Tracer TRhbonds ( "protocols.analysis.InterfaceAnalyzerMover.missing_hbonds"  )

static

Referenced by protocols::analysis::InterfaceAnalyzerMover::print_pymol_selection_of_hbond_unsat().

static thread_local basic::Tracer TRinterface ( "protocols.analysis.InterfaceAnalyzerMover.interface_selection"  )

static

Referenced by protocols::analysis::InterfaceAnalyzerMover::print_pymol_selection_of_interface_residues().

std::ostream& which_ostream	(	std::ostream &	ost,
		std::ostream &	oss,
		bool const	tracer
	)

stupid helper function needed because ternary operator does not allow variable return types