ReactionFragment.hh File Reference

apply RDKit's reaction-based fragment addition to a ResidueType More...

#include <protocols/drug_design/ReactionFragment.fwd.hh>
#include <protocols/drug_design/ReactionChemistry.hh>
#include <core/chemical/rdkit/RDKit.fwd.hh>
#include <core/chemical/AtomRefMapping.hh>
#include <core/chemical/MutableResidueType.fwd.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>
#include <string>

Classes
class	protocols::drug_design::ReactionFragment

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

Detailed Description

apply RDKit's reaction-based fragment addition to a ResidueType

apply RDKit's reaction mechanism to split a ResidueType

apply RDKit's reaction facilities to split a ResidueType

Author

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