subject:"\[Rdkit\-discuss\] smarts substructure query match = FALSE\?"

Re: [Rdkit-discuss] smarts substructure query match = FALSE?

2018-09-18 Thread Alexis Parenty

Hi Steeve, you have an imine bond in your smarts instead of an aromatic bond. It cannot match. [image: image.png] Best, Alexis On Tue, 18 Sep 2018 at 15:30, Stephen O'hagan wrote: > Hi folks, > > > > This looks as if HasSubstructMatch should return TRUE, so why is it FALSE? > [Python 3.6,

[Rdkit-discuss] smarts substructure query match = FALSE?

2018-09-18 Thread Stephen O'hagan

Hi folks, This looks as if HasSubstructMatch should return TRUE, so why is it FALSE? [Python 3.6, RDKit 2017.09.3] from rdkit import Chem from rdkit.Chem import Draw patt =