RDKitMetricCreator.hh File Reference

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

#include <core/simple_metrics/SimpleMetricCreator.hh>
#include <core/simple_metrics/SimpleMetric.fwd.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>

Classes
class	protocols::drug_design::RDKitMetricCreator

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

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)