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fix: unidock pipeline ligand index list too long err #127

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merged 1 commit into from
Apr 26, 2024
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fix: unidock pipeline ligand index list too long err #127

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7 changes: 3 additions & 4 deletions unidock_tools/src/unidock_tools/application/unidock_pipeline.py
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Original file line number Diff line number Diff line change
Expand Up @@ -212,11 +212,10 @@ def main(args: dict):
if args.get("ligand_index"):
with open(args["ligand_index"], "r") as f:
index_content = f.read()
index_lines1 = [Path(line.strip()).resolve() for line in index_content.split("\n")
if line.strip() and Path(line.strip()).exists()]
index_lines2 = [Path(line.strip()).resolve() for line in index_content.split(" ")
if line.strip() and Path(line.strip()).exists()]
index_lines1 = [line.strip() for line in index_content.split("\n") if line.strip()]
index_lines2 = [line.strip() for line in index_content.split(" ") if line.strip()]
ligands.extend(index_lines2 if len(index_lines2) > len(index_lines1) else index_lines1)
ligands = [Path(ligand).resolve() for ligand in ligands if Path(ligand).exists()]

if len(ligands) == 0:
logging.error("No ligands found.")
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