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handle case with no interfaces
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clami66 committed Aug 8, 2024
1 parent c773326 commit 3a5fe75
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion src/DockQ/DockQ.py
Original file line number Diff line number Diff line change
Expand Up @@ -674,7 +674,6 @@ def run_on_all_native_interfaces(
for result in result_mapping.values()
]
)

return result_mapping, total_dockq


Expand Down Expand Up @@ -984,6 +983,10 @@ def main():
best_mapping = next(chain_maps)
best_result, best_dockq = run_chain_map(best_mapping)

if not best_result:
logging.error("Could not find interfaces in the native model. Please double check the inputs or select different chains with the --mapping flag.")
sys.exit(1)

info = dict()
info["model"] = args.model
info["native"] = args.native
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