diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index d78a439c83594ee3440a01657d3e56c93d9b0774..c0743d1964374afb9012b354ed42bb570571c9b6 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -908,6 +908,8 @@ class LigandScorer: "reason_long": reason[1], main_key[i]: None, } + LogInfo("Model ligand %s is unassigned: %s" % ( + mdl_lig.qualified_name, reason[1])) for trg_idx in unassigned_trg_idx: trg_lig = self.target_ligands[trg_idx] @@ -917,6 +919,8 @@ class LigandScorer: if trg_cname not in unassigned_trg: unassigned_trg[trg_cname] = {} unassigned_trg[trg_cname][trg_resnum] = reason + LogInfo("Target ligand %s is unassigned: %s" % ( + trg_lig.qualified_name, reason[1])) return unassigned_trg, unassigned_mdl