From 9fbdd0d4cc469298f6b1afae2a54526bcd24bee0 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 28 Jun 2024 10:10:06 +0200
Subject: [PATCH] update CHANGELOG
---
CHANGELOG.txt | 16 +++++++++++-----
1 file changed, 11 insertions(+), 5 deletions(-)
diff --git a/CHANGELOG.txt b/CHANGELOG.txt
index b7b9879aa..406518a8e 100644
--- a/CHANGELOG.txt
+++ b/CHANGELOG.txt
@@ -21,12 +21,12 @@ Changes in Release x.x.x
now use RMSD based chain mapping when scoring oligos.
* scoring.Scorer and compare-structures action can now optionally enable
peptide specific parameterizations as defined by the CAPRI community for
- DockQ related scores (fnat, fnonnat, irmsd, lrmsd).
- * ChainMapper.GetMapping now uses backbone only lDDT with inclusion radius
- 30A as target function if nucleotide chains are present. Protein only
- structures still use QS-score as target function as before.
+ DockQ related scores (fnat, fnonnat, irmsd, lrmsd).
* Ligand scoring refactoring. lDDT-PLI and symmetry corrected RMSD are now
- completely separated.
+ completely separated and this comes with API changes. This also affects
+ trg/mdl ligand assignment which now differs between the two. lDDT-PLI
+ definition has been changed and slightly different results can be
+ expected.
* Breaking changes in compare-ligand-structures action output - run
'ost compare-ligand-structures -h' for more information.
* Added 'full_bs_search' argument in ligand scoring. Binding sites for
@@ -45,6 +45,12 @@ Changes in Release x.x.x
* Enable parasail (https://github.com/jeffdaily/parasail) as drop-in
replacement for naive LocalAlign/GlobalAlign/SemiGlobalAlign implementations.
Must be enabled at compile time - see installation instructions.
+ * Alignments in ChainMapper now use SemiGlobalAlign instead of GlobalAlign
+ strategy in order to improve the alignment of terminal regions.
+ * ChainMapper.GetMapping now uses backbone only lDDT with inclusion radius
+ 30A as target function if nucleotide chains are present. Protein only
+ structures still use QS-score as target function as before.
+ * Remove ost.io.IoProfile.quack_mode property
* Several bug fixes and improvements.
Changes in Release 2.7.0
--
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