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RDKitConv.h
Go to the documentation of this file.
#include <openbabel/mol.h>
#include <openbabel/obiter.h>
#include <graphmol/RWMol.h>
#include <graphmol/Atom.h>
RDKit::RWMol OBMolToRWMol(OpenBabel::OBMol* pOBMol);
OBMolToRWMol
RDKit::RWMol OBMolToRWMol(OpenBabel::OBMol *pOBMol)
Convert OpenBabel OBMol to and from RGKit molecules.
OpenBabel::OBMol
Molecule Class.
Definition mol.h:121
mol.h
Handle molecules. Declarations of OBMol, OBAtom, OBBond, OBResidue. (the main header for Open Babel).
obiter.h
STL-style iterators for Open Babel.