RDKitMetricsMover.hh File Reference

Add RDKit metrics to a pose. More...

#include <protocols/drug_design/RDKitMetricsMover.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/chemical/AtomRefMapping.hh>
#include <utility/vector1.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <string>

Classes
class	protocols::drug_design::RDKitMetricsMover

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

Detailed Description

Add RDKit metrics to a pose.

Add metrics from RDKit to the pose extra data.

Author

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