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rdkit / knime-rdkit

The RDKit nodes for the KNIME Analytics Platform
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RDKit From Molecule node can't render molecule with wedged bond #134

Open iwatobipen opened 1 year ago

iwatobipen commented 1 year ago

Dear developper, Thanks for developping really useful node for drug discovery, I found that RDKit From Molecule node can't render chiral modelcule with wedged bond. I think it's better to render molecule with wedge bond.

Screenshot from 2023-09-24 22-21-08 Screenshot from 2023-09-24 22-20-56

Thanks, Taka

greglandrum commented 1 year ago

@manuelschwarze : @iwatobipen and I were looking at this together at the UGM. I find the behavior quite strange: the SMILES renderer does show a wedged bond, but the renderer from an RDKit molecule does not. This makes me think that the problem is in the Java code which calls the C++ molecule drawing code, not the C++ code itself, but maybe you have other thoughts?