RDKitMetric.cc File Reference

A SimpleMetric which measures properties calcualted by RDKit on a ligand. More...

#include <protocols/drug_design/RDKitMetric.hh>
#include <protocols/drug_design/RDKitMetricCreator.hh>
#include <core/chemical/rdkit/RestypeToRDMol.hh>
#include <core/chemical/rdkit/util.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/simple_metrics/RealMetric.hh>
#include <core/simple_metrics/util.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/select/util.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
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::drug_design

Functions
static basic::Tracer	TR ("protocols.drug_design.RDKitMetric")

Detailed Description

A SimpleMetric which measures properties calcualted by RDKit on a ligand.

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)

Function Documentation

static basic::Tracer TR ( "protocols.drug_design.RDKitMetric"  )

static