OEChem - C++ Theory Manual Version 1.3.1

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23.4.1 OEReadPDBFile

bool MyReadPDBMolecule(oemolistream &ifs, OEMolBase &mol)
{
  mol.Clear();
  if (OEReadPDBFile(ifs,mol))
  {
    OEDetermineConnectivity(mol);
    OEFindRingAtomsAndBonds(mol);
    OEPerceiveBondOrders(mol);
    OEAssignImplicitHydrogens(mol);
    OEAssignFormalCharges(mol);
    OEAssignAromaticFlags(mol);
    return true;
  }
  mol.Clear();
  return false;
}

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				OEChem - C++ Theory Manual Version 1.3.1

Previous: 23.4 PDB File Format Up: 23.4 PDB File Format Next: 23.4.2 OEWritePDBFile

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Documentation released on July 30, 2004.