[Rdkit-discuss] Sanitize Error

2017-07-01 Thread Changge Ji
Dear All, I want to do some substructure match using MCS. It seems that Sanitize is needed for MCS. I met with the over valance error when using sanitize for some molecules. Like the following one : sa = Chem.MolFromSmiles('c1cocn1') sa

Re: [Rdkit-discuss] Sanitize Error

2017-07-01 Thread Andrew Dalke
On Jul 1, 2017, at 17:19, Changge Ji wrote: > I want to do some substructure match using MCS. > It seems that Sanitize is needed for MCS. > I met with the over valance error when using sanitize for some molecules. > > Like the following one : >