From a8dc81a9333abfbbb03c059782f3d39f3acb9997 Mon Sep 17 00:00:00 2001 From: Xavier Robin <xavier.robin@unibas.ch> Date: Fri, 10 Feb 2023 16:13:33 +0100 Subject: [PATCH] cleanup: SCHWED-5783 remove unused legacy code RepResult was fixed to not throw errors any more --- modules/mol/alg/pymod/ligand_scoring.py | 10 ---------- 1 file changed, 10 deletions(-) diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 5a4c08e6b..97d4dcd6a 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -455,16 +455,6 @@ class LigandScorer: model_ligand, binding_site.mdl_residues, []) mdl_bs_ent_ligand = mdl_bs_ent.FindResidue("_", 1) # by definition - # Prepare to save the data for this target/model mapping - # TODO: figure out if this try/except is still needed - # try: - # bb_rmsd = binding_site.bb_rmsd - # except Exception as err: - # # TODO: switch to whole backbone superposition - and drop try/except - # LogWarning("Can't calculate backbone RMSD: %s" - # " - setting to Infinity" % str(err)) - # bb_rmsd = float("inf") - # Now for each symmetry, loop and rename atoms according # to ref. mdl_editor = mdl_bs_ent.EditXCS() -- GitLab