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Unverified Commit 8513fb4d authored by Xavier Robin's avatar Xavier Robin
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fix: SCHWED-5481 actually remove hydrogens

parent 09f0677c
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actions/ost-compare-ligand-structures
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...@@ -284,8 +284,8 @@ def _LoadLigand(file): ...@@ -284,8 +284,8 @@ def _LoadLigand(file):
Load a single ligand from file names. Return an entity. Load a single ligand from file names. Return an entity.
""" """
ligand_ent = ost.io.LoadEntity(file, format="sdf") ligand_ent = ost.io.LoadEntity(file, format="sdf")
ligand_ent.Select("ele != H") ligand_view = ligand_ent.Select("ele != H")
return ligand_ent.Copy() return ost.mol.CreateEntityFromView(ligand_view, False)
def _Validate(structure, ligands, legend, fault_tolerant=False): def _Validate(structure, ligands, legend, fault_tolerant=False):
......
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