SubstituentReplace.hh File Reference

use RDKit to replace a subsituent on a substructure in a ResidueType More...

#include <protocols/drug_design/SubstituentReplace.fwd.hh>
#include <protocols/drug_design/substitution_support.fwd.hh>
#include <core/chemical/rdkit/RDKit.fwd.hh>
#include <protocols/chemistries/Chemistry.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::SubstituentReplace

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

Detailed Description

use RDKit to replace a subsituent on a substructure in a ResidueType

use RDKit to replace a subsitutent of a substructure in a ResidueType

use RDKit to replace a substructure in a ResidueType

Author

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