From 80752085667da863aba55317621968ca3fe960a6 Mon Sep 17 00:00:00 2001 From: Dima Molodenskiy Date: Thu, 10 Oct 2024 11:16:01 +0200 Subject: [PATCH] Remove pi_score from statistics.csv --- alphapulldown/analysis_pipeline/pdb_analyser.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/alphapulldown/analysis_pipeline/pdb_analyser.py b/alphapulldown/analysis_pipeline/pdb_analyser.py index da736171..4af83cb1 100644 --- a/alphapulldown/analysis_pipeline/pdb_analyser.py +++ b/alphapulldown/analysis_pipeline/pdb_analyser.py @@ -274,9 +274,10 @@ def run_and_summarise_pi_score( f"export PYTHONPATH={software_path}:$PYTHONPATH && " f"python {piscore_script_path} -p {pdb_path} -o {temp_dir} -s {surface_thres}" ] - result = subprocess.run(command, capture_output=True, text=True) - if result.returncode != 0: - return self._handle_pi_score_error(result, command, result.stderr) + # We decided to remove pi_score from the pipeline + #result = subprocess.run(command, capture_output=True, text=True) + #if result.returncode != 0: + # return self._handle_pi_score_error(result, command, result.stderr) # Read the results from the temporary directory csv_files = [f for f in os.listdir(temp_dir) if f.endswith('.csv')]