fix_missing_coords

fix_missing_coords(mol, tmc_idx, missing_coord_indices)

Add coordinates to RDKit molecule with missing coordinates

Parameters:

• mol (rdkit.Chem.rdchem.Mol) – RDKit to be repaired

• tmc_idx (int) – Atom index of the complex metal

• missing_coord_indices (list[int]) – Atom indices for which to find coordinates