#include <protocols/drug_design/ReactionFragment.hh>
#include <protocols/drug_design/ReactionFragmentCreator.hh>
#include <core/chemical/rdkit/RDMolToRestype.hh>
#include <core/chemical/rdkit/RestypeToRDMol.hh>
#include <core/chemical/rdkit/util.hh>
#include <core/chemical/MutableResidueType.hh>
#include <protocols/chemistries/util.hh>
#include <utility/string_util.hh>
#include <utility/io/izstream.hh>
#include <utility/tag/Tag.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <basic/database/open.hh>
#include <basic/Tracer.hh>
#include <numeric/random/WeightedSampler.hh>
#include <numeric/random/random.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/SmilesWrite.h>
#include <rdkit/GraphMol/SmilesParse/SmartsWrite.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.ReactionFragment")

bool	protocols::drug_design::invalid_products (::RDKit::MOL_SPTR_VECT const &products, ::RDKit::ChemicalReactionCOP rxn)
	Check if the produced products are valid given the reaction. (The ability to run the reaction comes from matching the reacting templates the product templates may have additional restrictions which could invalidate a product.) More...

Namespaces

Functions