Good morning
I am trying to generate a molfile from smiles, using the RDKit C++
implementation.
But in some cases the result molfile is like the one in the attached
image.
My code is something like this:
string molecule =
"C1=CC2=[N](C=C1)[Ir]134(C5=CC=CC=C25)C2=CC=CC=C2C2=[N]1C=CC=C2.C1=CC(C2=CC=CC=C32)=[N]4C=C1";
RDKit::ROMol* mol = RDKit::SmilesToMol(molecule, 0, false, nullptr);
mol->updatePropertyCache(false);
RDDepict::preferCoordGen = true;
RDDepict::compute2DCoords(*mol);
string molfile = RDKit::MolToMolBlock(*mol, true, -1, false, true)
How could I fix the molfile?
Regards
Santiago
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