From 3a5fe75b9cb2db5e3ab9b44add0a9cc9806887b1 Mon Sep 17 00:00:00 2001 From: clami66 Date: Thu, 8 Aug 2024 15:00:43 +0200 Subject: [PATCH] handle case with no interfaces --- src/DockQ/DockQ.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/DockQ/DockQ.py b/src/DockQ/DockQ.py index 5684b20..5b9c99a 100755 --- a/src/DockQ/DockQ.py +++ b/src/DockQ/DockQ.py @@ -674,7 +674,6 @@ def run_on_all_native_interfaces( for result in result_mapping.values() ] ) - return result_mapping, total_dockq @@ -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