From 3264517b206e783ca981351f2667403fef6d9e62 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 15 Mar 2024 16:04:39 +0100
Subject: [PATCH] doc: lddt_pli_radius should be >= radius
An lddt_pli_radius < radius may lead to the absence of contacts in
lDDT-PLI.
---
modules/mol/alg/pymod/ligand_scoring.py | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py
index 347b8e91a..0f73d2005 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -214,7 +214,8 @@ class LigandScorer:
atoms within this distance of the ligand will be considered
for inclusion in the binding site.
:type radius: :class:`float`
- :param lddt_pli_radius: lDDT inclusion radius for lDDT-PLI.
+ :param lddt_pli_radius: lDDT inclusion radius for lDDT-PLI. Should be
+ at least equal to or larger than `radius`.
:type lddt_pli_radius: :class:`float`
:param lddt_lp_radius: lDDT inclusion radius for lDDT-LP.
:type lddt_lp_radius: :class:`float`
--
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