Hi all,
I wasn't able to give my RDKit training session at the last UGM, so I passed
out the presentation materials to the students who signed up. One of them wrote
to me asking why the following didn't display an error message in the notebook.
from rdkit import Chem
from rdkit.Chem.Draw import IPythonConsole
mol = Chem.MolFromSmiles("Q")
On my machine I get a red message from stderr:
RDKit ERROR: [15:41:35] SMILES Parse Error: syntax error for input: 'Q'
so I don't know why it doesn't work for the student (who sent me screenshots
demonstrating the lack).
sys.version says:
3.7.4 (default, Aug 9 2019, 18:34:13) [MSC v.1915 64 bit (AMD64)]
(which means it's an Anaconda build for MS Windows)
and rdkit.__version__ is
2019.03.4
(I have an older version of RDKit on my laptop, which I used to verify that I
get the message.)
Any idea on what's going on, or what I can suggest trying?
Andrew
da...@dalkescientific.com
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