From e1d9d98601f50d5ead81a027cf684479df9b76fd Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 1 Mar 2023 11:58:11 +0100
Subject: [PATCH] compare-structures: make model/reference optional arguments
same behaviour as old compare-structures
---
actions/ost-compare-structures-new | 15 +++++++++++----
1 file changed, 11 insertions(+), 4 deletions(-)
diff --git a/actions/ost-compare-structures-new b/actions/ost-compare-structures-new
index 89d5eee20..0f66704b6 100644
--- a/actions/ost-compare-structures-new
+++ b/actions/ost-compare-structures-new
@@ -1,7 +1,7 @@
"""
Evaluate model against reference
-Example: ost compare-structures-new model.pdb reference.cif
+Example: ost compare-structures-new -m model.pdb -r reference.cif
Loads the structures and performs basic cleanup:
@@ -41,7 +41,8 @@ Each score is opt-in and can be enabled with optional arguments.
Example to compute local and per-residue lDDT values as well as QS-score:
-ost compare-structures-new model.pdb reference.cif --lddt --local-lddt --qs-score
+ost compare-structures-new -m model.pdb -r reference.cif --lddt --local-lddt \
+--qs-score
"""
import argparse
@@ -60,11 +61,17 @@ def _ParseArgs():
prog = "ost compare-structures-new")
parser.add_argument(
- "model",
+ "-m",
+ "--model",
+ dest="model",
+ required=True,
help=("Path to model file."))
parser.add_argument(
- "reference",
+ "-r",
+ "--reference",
+ dest="reference",
+ required=True,
help=("Path to reference file."))
parser.add_argument(
--
GitLab