From 5759dac884baefd4203a3c6301c6784416891879 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Wed, 12 Jun 2024 17:39:26 +0200
Subject: [PATCH] fix: lDDT-PLI unassigned with no_contact if only model has no
contacts
---
modules/mol/alg/pymod/ligand_scoring_lddtpli.py | 9 ---------
1 file changed, 9 deletions(-)
diff --git a/modules/mol/alg/pymod/ligand_scoring_lddtpli.py b/modules/mol/alg/pymod/ligand_scoring_lddtpli.py
index e6239ec93..5710e3efd 100644
--- a/modules/mol/alg/pymod/ligand_scoring_lddtpli.py
+++ b/modules/mol/alg/pymod/ligand_scoring_lddtpli.py
@@ -203,15 +203,6 @@ class LDDTPLIScorer(ligand_scoring_base.LigandScorer):
mdl_residues, mdl_bs, mdl_chains, mdl_ligand_chain, mdl_ligand_res, \
chem_mapping = self._lddt_pli_get_mdl_data(model_ligand)
- if len(mdl_chains) == 0 or len(trg_chains) == 0:
- # It's a spaceship!
- return {"lddt_pli": None,
- "lddt_pli_n_contacts": 0,
- "target_ligand": target_ligand,
- "model_ligand": model_ligand,
- "bs_ref_res": trg_residues,
- "bs_mdl_res": mdl_residues}
-
####################
# Setup alignments #
####################
--
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