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RDKit.js can't parse all molecules #24

@sfluegel05

Description

@sfluegel05

we use RDKit.js to render molecules in the frontend. However, there are some molecules where RDKIT fails at the kekulization.

In Python-RDKit, this can be avoided by setting the sanitize flag: Chem.MolFromSmiles(smiles, sanitize=False). The molecule will not get kekulized but can still be rendered. In RDKit.js, there is a get_mol function (see https://docs.rdkitjs.com/interfaces/RDKitModule.html#get_mol.get_mol-1) that accepts a details_json string. I have not found out where get_mol is implemented (such a function does not exist on the Python side). I also don't know what happens with details_json.

Todo

  • find a way to reliably render all molecules that RDKit can render

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