From ac1cd266342356828c19e0c76b88b481be1152fd Mon Sep 17 00:00:00 2001 From: amjjbonvin Date: Mon, 23 Mar 2026 11:18:53 +0100 Subject: [PATCH 1/2] Updated haddock2.5 version and list of changes --- software/haddock2.4/changes.md | 15 +++++++++++++++ software/haddock2.4/index.md | 2 +- 2 files changed, 16 insertions(+), 1 deletion(-) diff --git a/software/haddock2.4/changes.md b/software/haddock2.4/changes.md index 5c59f777..a25480c0 100644 --- a/software/haddock2.4/changes.md +++ b/software/haddock2.4/changes.md @@ -6,6 +6,21 @@ comments: false image: feature: pages/banner_software.jpg --- + +### Changes - version March 2026 (haddock2.5 only) +- Added missing improper paramters for NGA glycan +- Correct bug causing automatic reduction of the cluster size for reclustering to fail +- Added support for THR glycosylation + + +### Changes - version August 2025 (haddock2.5 only) +- Increased some array size parameters in the provided CNS code. +- Added support for pyro-glutamic acid (PCA) +- Modified analysis to write stage-specific CNS average job files +- Simplified CNS execution scripts +- Added check of coordinates for consistency with the PDB format + + ### Changes - version December 2024 (haddock2.5 only) - Removed the minimisation of fully flexible regions during topology generation - Changed nucleic acid oxygen phosphage naming to OP1/OP2 (inline with PDB naming) diff --git a/software/haddock2.4/index.md b/software/haddock2.4/index.md index 597fc1b0..210db706 100644 --- a/software/haddock2.4/index.md +++ b/software/haddock2.4/index.md @@ -15,7 +15,7 @@ image: ![Structure + Binformatic/Biophysical Data => Complex](HADDOCK2.4.png) -_Version:_ 2.5 (December 2024) ([changes](/software/haddock2.4/changes)) +_Version:_ 2.5 (March 2026) ([changes](/software/haddock2.4/changes)) _Authors:_ Alexandre Bonvin and members of the computational structural biology group, Utrecht University From 37db4100dd0efb2b2bc83c677f0eee9e1a461b9e Mon Sep 17 00:00:00 2001 From: Alexandre Bonvin Date: Mon, 23 Mar 2026 11:55:41 +0100 Subject: [PATCH 2/2] Update changes.md --- software/haddock2.4/changes.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/software/haddock2.4/changes.md b/software/haddock2.4/changes.md index a25480c0..7be2dbfa 100644 --- a/software/haddock2.4/changes.md +++ b/software/haddock2.4/changes.md @@ -8,13 +8,13 @@ image: --- ### Changes - version March 2026 (haddock2.5 only) -- Added missing improper paramters for NGA glycan +- Added missing improper parameters for NGA glycan - Correct bug causing automatic reduction of the cluster size for reclustering to fail - Added support for THR glycosylation ### Changes - version August 2025 (haddock2.5 only) -- Increased some array size parameters in the provided CNS code. +- Increased some array size parameters in the provided CNS code - Added support for pyro-glutamic acid (PCA) - Modified analysis to write stage-specific CNS average job files - Simplified CNS execution scripts @@ -91,7 +91,7 @@ image: - Added beta sialic acid (SIB), and additional linkages between glycans - Added modified DNA baseJ (DJ) - Corrected issue with automatic his protonation state -- Added automatic definition of restraints to maintain ions in their coordination sphere. +- Added automatic definition of restraints to maintain ions in their coordination sphere - Modified analysis scripts to work with a single ligand molecule