Dear colleagues, When I run MolToSmiles on a molecule with a 6-valenced sulfur, it produced a problematic smiles. Seems it's a bug?
Thanks. Ling Running "Chem.MolToSmiles(Chem.MolFromMolFile("mol.sdf"))" on the following sdf, I got 'C[S@OH16](F)(F)(F)(F)F' ------------------------------------------------------------------------------------------------------------- RDKit 3D 7 6 0 0 1 0 0 0 0 0999 V2000 -2.0677 2.3607 1.4012 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 2.6304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 3.0975 0.8090 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 2.9001 -1.4012 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 4.1559 -0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 2.1634 -0.8090 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 2 7 1 0 M END $$$$
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