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PeptideInternalHbondsMetric.cc File Reference

A simple metric for measuring the hydrogen bonds within a peptide backbone, ignoring hydrogen bonds to other parts of a pose. Note that this metric does not count intra-residue hydrogen bonds. More...

#include <protocols/cyclic_peptide/PeptideInternalHbondsMetric.hh>
#include <protocols/cyclic_peptide/PeptideInternalHbondsMetricCreator.hh>
#include <core/simple_metrics/RealMetric.hh>
#include <core/simple_metrics/util.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/xml_util.hh>
#include <core/id/AtomID.hh>
#include <basic/Tracer.hh>
#include <basic/datacache/DataMap.hh>
#include <utility/tag/Tag.hh>
#include <utility/string_util.hh>
#include <utility/pointer/memory.hh>
#include <utility/graph/Graph.hh>
#include <basic/citation_manager/CitationCollection.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <utility/tag/XMLSchemaGeneration.hh>

Namespaces

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

Functions

static basic::Tracer TR ("protocols.cyclic_peptide.PeptideInternalHbondsMetric")
 

Detailed Description

A simple metric for measuring the hydrogen bonds within a peptide backbone, ignoring hydrogen bonds to other parts of a pose. Note that this metric does not count intra-residue hydrogen bonds.

Author
Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)

Function Documentation

static basic::Tracer TR ( "protocols.cyclic_peptide.PeptideInternalHbondsMetric"  )
static