WaterMediatedHbondMetric.cc File Reference

A metric to measure hydrogen bonds between a set of residues that are water-mediated. Depth of 1 is default where one water mediates the interface between these residues. Depth can be set. Make sure to use the -include_waters flag to have Rosetta not ignore HOH. More...

#include <core/simple_metrics/per_residue_metrics/WaterMediatedHbondMetric.hh>
#include <core/simple_metrics/simple_metric_creators.hh>
#include <core/simple_metrics/PerResidueRealMetric.hh>
#include <core/simple_metrics/util.hh>
#include <core/pose/Pose.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/select/util.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Residue.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/tag/XMLSchemaGeneration.hh>

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

Functions
static basic::Tracer	TR ("core.simple_metrics.per_residue_metrics.WaterMediatedHbondMetric")

Detailed Description

A metric to measure hydrogen bonds between a set of residues that are water-mediated. Depth of 1 is default where one water mediates the interface between these residues. Depth can be set. Make sure to use the -include_waters flag to have Rosetta not ignore HOH.

Function Documentation

static basic::Tracer TR ( "core.simple_metrics.per_residue_metrics.WaterMediatedHbondMetric"  )

static

Author

Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)

Referenced by core::simple_metrics::per_residue_metrics::WaterMediatedHbondMetric::calculate().