ChemicalReaction.cc File Reference

A reaction object that keeps track of its fragment sets. More...

#include <protocols/drug_design/ChemicalReaction.hh>
#include <numeric/random/random.hh>
#include <utility/numbers.hh>
#include <utility/io/izstream.hh>
#include <utility/string_util.hh>
#include <utility/file/file_sys_util.hh>
#include <basic/database/open.hh>
#include <basic/Tracer.hh>
#include <rdkit/GraphMol/ROMol.h>
#include <rdkit/GraphMol/ChemReactions/Reaction.h>
#include <rdkit/GraphMol/ChemReactions/ReactionParser.h>
#include <rdkit/GraphMol/MolOps.h>
#include <rdkit/GraphMol/SmilesParse/SmilesParse.h>
#include <rdkit/GraphMol/SmilesParse/SmilesWrite.h>
#include <rdkit/GraphMol/DistGeomHelpers/Embedder.h>

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

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

Detailed Description

A reaction object that keeps track of its fragment sets.

Author

Yidan Tang (yidan.nosp@m..tan.nosp@m.g@van.nosp@m.derb.nosp@m.ilt.e.nosp@m.du)