From 1840640738add5d0a02c1715619e852a72f87997 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 6 Sep 2024 14:49:26 +0200
Subject: [PATCH] fix: inconsistent residues is a tuple of residues
---
actions/ost-compare-ligand-structures | 6 ++++--
1 file changed, 4 insertions(+), 2 deletions(-)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index 22da5cfe7..77739dd41 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -701,7 +701,8 @@ def _Process(model, model_ligands, reference, reference_ligands, args):
aux_data["bs_ref_res_mapped"]],
"bs_mdl_res_mapped": [_QualifiedResidueNotation(r) for r in
aux_data["bs_mdl_res_mapped"]],
- "inconsistent_residues": [_QualifiedResidueNotation(r) for r in
+ "inconsistent_residues": [_QualifiedResidueNotation(r[0]) + \
+ "-" +_QualifiedResidueNotation(r[1]) for r in
aux_data["inconsistent_residues"]],
"transform": [transform_data[i:i + 4]
for i in range(0, len(transform_data), 4)]})
@@ -744,7 +745,8 @@ def _Process(model, model_ligands, reference, reference_ligands, args):
aux_data["bs_ref_res_mapped"]],
"bs_mdl_res_mapped": [_QualifiedResidueNotation(r) for r in
aux_data["bs_mdl_res_mapped"]],
- "inconsistent_residues": [_QualifiedResidueNotation(r) for r in
+ "inconsistent_residues": [_QualifiedResidueNotation(r[0]) + \
+ "-" +_QualifiedResidueNotation(r[1]) for r in
aux_data["inconsistent_residues"]],
"transform": [transform_data[i:i + 4]
for i in range(0, len(transform_data), 4)]})
--
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