Hi Norwid,
The inner loop over mols here:
for i in smiles_list:
for mol in mols:
for atom in mol.GetAtoms():
atom.SetAtomMapNum(atom.GetIdx())
mols.append(Chem.MolFromSmiles(i))
is not in the right place. First, because you'll go over the same
Starting with lists consisting of a compound identifier, an explicit space,
and a SMILES string, I would like to generate illustrations about these
structures including RDKit's atom indices. What is puzzling to me is that
consistently the last entry / compound list is converted into a structure
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