This is my first time posting to stack exchange, as well as to using data-driven approaches, so please correct me if my questions is not clear enough.
I am trying to parse 200+ .pdb files to extract residues within 15 angstroms of a certain ligand. I have managed to extract the resnames in a text file.
In order to do a sanity check, I first ran my code on the first 5 pdb files of this list and compared the outputs to expected output. However, I was wondering if there are any other steps I can take to make my check more robust.
Are there any 'gold standard'/good practices related to this?