From 1d3c5a046324ebb082c3b22f0cfbe89e98413624 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 24 May 2023 09:27:46 +0200
Subject: [PATCH] update docker README to refer to new compare-structures
action
---
docker/README.rst | 17 +++--------------
1 file changed, 3 insertions(+), 14 deletions(-)
diff --git a/docker/README.rst b/docker/README.rst
index e02d9787b..4ecbfe5b6 100644
--- a/docker/README.rst
+++ b/docker/README.rst
@@ -105,21 +105,10 @@ Here is an example run of the compare-structures action:
docker run --rm -v $(pwd):/home <IMAGE NAME> compare-structures \
--model model.pdb \
- --reference reference.pdb \
- --output output.json \
- --qs-score \
- --residue-number-alignment \
+ --reference reference.cif \
+ --output scores.json \
--lddt \
- --structural-checks \
- --consistency-checks \
- --inclusion-radius 15.0 \
- --bond-tolerance 15.0 \
- --angle-tolerance 15.0 \
- --molck \
- --remove oxt hyd unk \
- --clean-element-column \
- --map-nonstandard-residues
-
+ --local-lddt
In order to see all available options for this action run:
--
GitLab