Dear KNIME communauty,
I just noticed something strange when working on a SDF with RDKIT nodes.
For instance, when I use the canon SMILES node directly on a SDF input, the SDF column gets actually changed, as as the RDKIT icon is now displayed instead of the SDF one.
This is problematic because I cannot re-use the SDF column for a RDKIT from Molecule node, as the obtained molecules do not have specified chirality anymore.
I tested this with an original SDF file and a SMILES that I converted to SDF format, and observed the same results.
Interestingly, if one uses the bundled openbabel to convert SMILES to SDF, the chirality is not detected at all by RDKIT.
I attached a workflow illustrating my problem, so that you can see it for yourself.
Is this a bug or am I misundertanding something?
Many thanks for your help!
Cheers,
Jose Manuel