diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures index b28384cf18ed3572ba240a72d7ecc5fd43cd5f2e..0ecaeb42161eb80a7655f3cb48c7cf6ccd11bf29 100644 --- a/actions/ost-compare-ligand-structures +++ b/actions/ost-compare-ligand-structures @@ -432,7 +432,11 @@ def _LoadLigand(file): """ Load a single ligand from file names. Return an entity. """ - return ost.io.LoadEntity(file, format="sdf") + ent = ost.io.LoadEntity(file, format="sdf") + ed = ent.EditXCS() + ed.RenameChain(ent.chains[0], file) + ed.UpdateICS() + return ent def _CleanupStructure(entity):