Re: [Rdkit-discuss] problem with MolToSmiles with 6-valenced sulfur

Thank you Christian! This is good to know. The meaning of the number after "OH" is not defined in the web page. I'll take a look at the publication. But yes, I get the idea. Ling Christian Meyenburg 於 2023年11月18日週六 下午12:14寫道： > Hi Ling, > > On 2023-11-17 18:40, Ling Chan wrote: > > When I

Re: [Rdkit-discuss] problem with MolToSmiles with 6-valenced sulfur

Hi Ling, On 2023-11-17 18:40, Ling Chan wrote: When I run MolToSmiles on a molecule with a 6-valenced sulfur, it produced a problematic smiles. Seems it's a bug? [...] Running "Chem.MolToSmiles(Chem.MolFromMolFile("mol.sdf"))" on the following sdf, I got 'C[S@OH16](F)(F)(F)(F)F' The

[Rdkit-discuss] problem with MolToSmiles with 6-valenced sulfur

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'