Re: [Rdkit-discuss] SMILES, explicit H and chirality

Dear Greg, When I read that you did not reproduce the problem, I updated from rdkit-2016-03.1 to rdkit-2017-03.1 and this solved the problem. Thank you ! Jean-Marc Le 19/06/2017 à 11:04, Greg Landrum a écrit : Hi Jean-Marc, I can't reproduce that: In [2]: m =

Re: [Rdkit-discuss] SMILES, explicit H and chirality

Hi Jean-Marc, I can't reproduce that: In [2]: m = Chem.MolFromSmiles('CN1CCC[C@H]1c1cccnc1') In [3]: Chem.MolToSmiles(m,isomericSmiles=True) Out[3]: 'CN1CCC[C@H]1c1cccnc1' In [4]: Chem.MolToSmiles(m,isomericSmiles=True,allHsExplicit=True) Out[4]: