From d1e864d069d0ad504e5c51ae642102525eb2eea1 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 19 Dec 2024 11:28:00 +0100
Subject: [PATCH] compare-ligand-structures action: pass fault_tolerant flag to
PDB parser
---
actions/ost-compare-ligand-structures | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index 7561e9201..2c38bb67d 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -512,7 +512,8 @@ def _LoadStructureData(receptor_path,
if bu_id is not None:
raise RuntimeError(f"Cannot specify biounit ({bu_id}) for receptor "
f"in PDB format ({receptor_path})")
- receptor = ligand_scoring_base.PDBPrep(receptor_path)
+ receptor = ligand_scoring_base.PDBPrep(receptor_path,
+ fault_tolerant=fault_tolerant)
ligands = _LoadLigands(ligand_path)
elif receptor_format == "mmcif":
--
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