diff --git a/src/DockQ/DockQ.py b/src/DockQ/DockQ.py index d48f41f..910d163 100755 --- a/src/DockQ/DockQ.py +++ b/src/DockQ/DockQ.py @@ -626,14 +626,21 @@ def run_on_all_native_interfaces( if len(set(model_chains)) < 2: continue if chain_pair[0] in chain_map and chain_pair[1] in chain_map: - info = run_on_chains( - model_chains, - native_chains, - no_align=no_align, - capri_peptide=capri_peptide, - small_molecule=small_molecule, - low_memory=low_memory, - ) + try: + info = run_on_chains( + model_chains, + native_chains, + no_align=no_align, + capri_peptide=capri_peptide, + small_molecule=small_molecule, + low_memory=low_memory, + ) + except Exception as e: + logging.error( + f"Error while calculating DockQ for {chain_pair[0]}-{chain_pair[1]}: {e}. Skipping..." + ) + print(traceback.format_exc()) + continue if info: info["chain1"], info["chain2"] = ( chain_map[chain_pair[0]],