[Rdkit-discuss] a SMILES that rdkit cannot read

2016-09-18 Thread 杨弘宾
hi,? ? When I used rdkit to parse a smi file, I found that there was a SMILES that rdkit cannot parse, and no any error or?warning. version: Release_2016_03_1>>>?mol = Chem.MolFromSmiles('N(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O')>>> print molNone This compound can be read by OpenBabel.

Re: [Rdkit-discuss] a SMILES that rdkit cannot read

2016-09-18 Thread Greg Landrum
Hi, On Mon, Sep 19, 2016 at 5:33 AM, 杨弘宾 wrote: >When I used rdkit to parse a smi file, I found that there was a SMILES > that rdkit cannot parse, and no any error or warning. > > > version: Release_2016_03_1 > >>> mol =