From 29063d7a22c2cfab1529f172afc8d37c3dcdddb8 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Wed, 20 Mar 2024 14:16:33 +0100
Subject: [PATCH] Use RMSD only assignment by default
---
actions/ost-compare-ligand-structures | 14 ++++++++++++--
1 file changed, 12 insertions(+), 2 deletions(-)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index a221d950b..ca70acf32 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -227,9 +227,19 @@ def _ParseArgs():
"-ra",
"--rmsd-assignment",
dest="rmsd_assignment",
- default=False,
+ default=True,
action="store_true",
- help=("Use RMSD for ligand assignment."))
+ help=("Use RMSD only for ligand assignment "
+ "(default since OpenStructure 2.8)."))
+
+ parser.add_argument(
+ "-sa",
+ "--separate-assignment",
+ dest="rmsd_assignment",
+ default=True,
+ action="store_false",
+ help=("Use separate ligand assignments for RMSD and lDDT-PLI "
+ "(opposite of --rmsd-assignment)."))
parser.add_argument(
"-u",
--
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