From 313eab475ff7aeea54a1c96fcec4cf53fe571ccf Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 18 Oct 2024 17:19:01 +0200
Subject: [PATCH] bugfix: correctly parse numeric types in
compare-ligand-structures action
---
actions/ost-compare-ligand-structures | 4 ++++
1 file changed, 4 insertions(+)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index 77739dd41..d3044dfd2 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -283,6 +283,7 @@ def _ParseArgs():
"--coverage-delta",
dest="coverage_delta",
default=0.2,
+ type=float,
help=("Coverage delta for partial ligand assignment."))
parser.add_argument(
@@ -314,6 +315,7 @@ def _ParseArgs():
"--lddt-pli-radius",
dest="lddt_pli_radius",
default=6.0,
+ type=float,
help=("lDDT inclusion radius for lDDT-PLI."))
parser.add_argument(
@@ -343,6 +345,7 @@ def _ParseArgs():
"--radius",
dest="radius",
default=4.0,
+ type=float,
help=("Inclusion radius to extract reference binding site that is used "
"for RMSD computation. Any residue with atoms within this "
"distance of the ligand will be included in the binding site."))
@@ -351,6 +354,7 @@ def _ParseArgs():
"--lddt-lp-radius",
dest="lddt_lp_radius",
default=15.0,
+ type=float,
help=("lDDT inclusion radius for lDDT-LP."))
parser.add_argument(
--
GitLab