Skip to content

Updated haddock2.5 version and list of changes #780

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
amjjbonvin wants to merge 2 commits into
base: master
Choose a base branch
from
Open

Updated haddock2.5 version and list of changes #780

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
ac1cd26
Updated haddock2.5 version and list of changes
amjjbonvin Mar 23, 2026
37db410
Update changes.md
amjjbonvin Mar 23, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
17 changes: 16 additions & 1 deletion software/haddock2.4/changes.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,21 @@ comments: false
image:
feature: pages/banner_software.jpg
---

### Changes - version March 2026 (haddock2.5 only)
- 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
- 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)
Expand Down Expand Up @@ -76,7 +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


Expand Down
2 changes: 1 addition & 1 deletion software/haddock2.4/index.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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

Expand Down
Loading