Hello, I have been using RDKIT for some time now, and I could not get a certain descriptor that would be super useful for my work. Every other descriptor works fine, however, for some reason the following calculations always gives me 0:
RDKit::Descriptors::numAtomStereoCenters( rdmol ); I did convert the in-house mol information into molecular information that is compatible with RDKIT, but for some reason it is not giving me any information on stereocenters. Furthermore, when I print out the SMILES strings from RDKit::MolToSmiles(rdmol) with explicit H turned off, it still spits out the entire SMILE string that has [H] integrated into the string. I would like to turn that off, unless explicit H in RDKIT may mean something else. Any help would be appreciated. Thanks, Steven Pak
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