PDB:4DMN is a HIV-1 integrase structure with a bound ligand (PDB:0L9). i want to bring this ligand into alignment with another, reference structure PDB:3AO1.
i can do alignments of the two structures, and i can identify the ligand's heteroatoms by checking the residue.get_full_id() tags. but there are obviously no CA atoms to associated with the ligand to use as references for
Superimposer to use for alignment. So i figure i need to do it in two steps: first align the two structures, then use the transform found by
Superimposer on the ligand.
but i don't know how to do the second bit? thanks for any hints,