Denali Schlesinger comments

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                                            Denali Schlesinger

How to use get_mol() on pdb proteins?

Hi, thank you for your response! Do you know of any way to load a pdb file in js? Am probably going to switch to Python to utilize that version...

loadFormatData says 'smi' is not a valid format

I tried using const SMILES = Kekule.IO.saveFormatData(molecules[0], 'smi') this worked

loadFormatData says 'smi' is not a valid format

Thank you, this loads the molecule, but I am trying to add it to the composer object. How would I generate 2D coordinates for this molecule? I looked in the...

loadFormatData says 'smi' is not a valid format

Why is Kekule trying to refrence /node_modules/.vite/deps/extra/openbabel.data [404] GET /node_modules/.vite/deps/extra/openbabel.data It looks like openbabel and couple other files it is trying to refrence in .vite/deps/extra are in src/_extra?

loadFormatData says 'smi' is not a valid format

I ended up using a node server with rdkit for the conversion from smiles to mols