compare-ligand-structures action: pass fault_tolerant flag to PDB parser

d1e864d0 · Studer Gabriel · a9c6e1af · d1e864d0
Commit d1e864d0 authored 3 months ago by Studer Gabriel
--- 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":