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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