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I noticed you can't use the get_mol() function on pdb files, I was trying to use morgan fingerprint encoding on protein and ligand for an ML application. Wondering if that is possible using RDKIT-JS. Is there a similar functionality to getMolFromPDBFile().
It works on smiles but returns null when given a PDB format. I also noticed that you can use a JSON for get mol. What format would that take and could I use that for my protein? Documentation was unclear.
The text was updated successfully, but these errors were encountered:
Do you know of any way to load a pdb file in js? Am probably going to switch to Python to utilize that version of rdkit. However it would be optimal to use js.
I noticed you can't use the get_mol() function on pdb files, I was trying to use morgan fingerprint encoding on protein and ligand for an ML application. Wondering if that is possible using RDKIT-JS. Is there a similar functionality to getMolFromPDBFile().
It works on smiles but returns null when given a PDB format. I also noticed that you can use a JSON for get mol. What format would that take and could I use that for my protein? Documentation was unclear.
The text was updated successfully, but these errors were encountered: