From d6ac7c97f0a54b9d1fc939d46a2df5fef807d1c1 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 10 Feb 2023 16:13:01 +0100
Subject: [PATCH] doc: SCHWED-5873 new dictionary layout
---
modules/mol/alg/pymod/ligand_scoring.py | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py
index 2491a8a5c..5a4c08e6b 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -664,7 +664,7 @@ class LigandScorer:
@property
def rmsd(self):
"""Get a dictionary of RMSD score values, keyed by model ligand
- qualified names.
+ (chain name, tuple(residue number, insertion code)).
:rtype: :class:`dict`
"""
@@ -675,7 +675,7 @@ class LigandScorer:
@property
def rmsd_details(self):
"""Get a dictionary of RMSD score details (dictionaries), keyed by
- model ligand qualified names.
+ model ligand (chain name, tuple(residue number, insertion code)).
Each sub-dictionary contains the following information:
@@ -700,7 +700,7 @@ class LigandScorer:
@property
def lddt_pli(self):
"""Get a dictionary of lDDT-PLI score values, keyed by model ligand
- qualified names.
+ (chain name, tuple(residue number, insertion code)).
:rtype: :class:`dict`
"""
@@ -711,7 +711,7 @@ class LigandScorer:
@property
def lddt_pli_details(self):
"""Get a dictionary of lDDT-PLI score details (dictionaries), keyed by
- model ligand qualified names.
+ model ligand (chain name, tuple(residue number, insertion code)).
Each sub-dictionary contains the following information:
--
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