Closed tomcastigl closed 1 week ago
Running plinder_eval on multi-ligand systems ends up with OpenStructure complaining that the different ligands have the same chain name
plinder_eval
2024-11-07 08:59:20,580 | plinder.eval.docking.write_scores:159 | ERROR : get_scores: A residue number 1 already exists in chain 00001_Molecule
renaming the ligand chains fixes this!
Description
Running
plinder_evalon multi-ligand systems ends up with OpenStructure complaining that the different ligands have the same chain namerenaming the ligand chains fixes this!