What Curt says is true if you just start the jupyter notebook and import
the RDKit.
However, if you also import the Jupyter integration (using "from
rdkit.Chem.Draw import IPythonConsole"), then you should also see the C++
error messages and warnings show up in the console:
[image: Inline image 1]
> I ran it in jupyter via browser. Both docker/ubuntu and windows were
> tested and found that jupyter won't give error. Ipython or python in
> terminal(cmd) would show this error.
>
>
That problem is related to how Jupyter interacts with python kernels. It's
not an RDKit issue. If you check the
Thanks. It's really a obvious error.I ran it in jupyter via browser. Both
docker/ubuntu and windows were tested and found that jupyter won't give error.
Ipython or python in terminal(cmd) would show this error.
Why not raise a python error or warning?
Hongbin Yang
From: Greg LandrumDate
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 = Chem.MolFromSmiles('N(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O')
> >>> prin
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. But
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