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('CCCCN(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O')>>> print molNone
This compound can be read by OpenBabel. But I have no idea why it didnot work.
Hongbin Yang 杨弘宾
Research: Toxicophore and Chemoinformatics
Pharmaceutical Science, School of Pharmacy
East China University of Science and Technology?
------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
