RDMolToRestype.cc File Reference

A class for creating a residuetype based on a RDKit fragment. More...

#include <core/chemical/rdkit/RDMolToRestype.hh>
#include <core/chemical/rdkit/util.hh>
#include <core/chemical/rdkit/RDKit.fwd.hh>
#include <core/chemical/MutableResidueType.hh>
#include <core/chemical/Atom.hh>
#include <core/chemical/ElementSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <utility/string_util.hh>
#include <core/chemical/ResidueGraphTypes.hh>
#include <core/chemical/Elements.hh>
#include <numeric/xyzVector.hh>
#include <core/chemical/icoor_support.hh>
#include <core/chemical/bond_support.hh>
#include <core/chemical/residue_support.hh>
#include <core/chemical/atomtype_support.hh>
#include <utility/numbers.hh>
#include <basic/Tracer.hh>
#include <rdkit/GraphMol/AtomIterators.h>
#include <rdkit/GraphMol/BondIterators.h>
#include <rdkit/GraphMol/MolOps.h>

Namespaces
	core
	A class for reading in the atom type properties.
	core::chemical
	core::chemical::rdkit

Functions
static basic::Tracer	core::chemical::rdkit::TR ("core.chemical.rdkit.RDMolToRestype")

Detailed Description

A class for creating a residuetype based on a RDKit fragment.