From a9c6e1af9803ef5e4825879738b00fab9e82bfa5 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 19 Dec 2024 11:22:38 +0100
Subject: [PATCH] compare-ligand-structures action: assign filename as
structure name
restores old behaviour but as far as I can see, this change has no
consequence at all.
---
actions/ost-compare-ligand-structures | 3 +++
1 file changed, 3 insertions(+)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index 3cff1249a..7561e9201 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -530,6 +530,9 @@ def _LoadStructureData(receptor_path,
else:
raise RuntimeError("This should never happen")
+ # assign filename as name to receptor
+ receptor.SetName(receptor_path)
+
return (receptor, ligands)
--
GitLab