issues
search
haddocking
/
haddock3
Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
84
stars
28
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Ilrmsd onechain clarified
#922
mgiulini
opened
1 day ago
0
Workaround topoaa
#921
VGPReys
opened
1 day ago
0
clarify error message in ilrmsdmatrix when single chain structures are provided
#920
mgiulini
opened
1 day ago
0
Flexible segments definition
#919
AnnaKravchenko
opened
3 days ago
1
Reduce number of files in `mode = "local"`
#918
rvhonorato
opened
4 days ago
0
Reduce the number of files generated
#917
rvhonorato
opened
4 days ago
0
haddock3-copy IsADirectoryError error while copying a run
#916
ahmedselim2017
closed
3 days ago
2
[CNS Complie] Makefile Error, CNS_ARCH blank
#915
jh2ee
opened
4 days ago
6
Issue with expertize level for ligand parameters and topology
#914
VGPReys
opened
1 week ago
0
adding test to checks for duplicated parameters in defaults.yaml
#913
VGPReys
opened
1 week ago
0
remove duplicate parameter w_air in mdscoring
#912
mgiulini
opened
1 week ago
0
Validate YAML schema and format in parameter files
#911
rvhonorato
opened
1 week ago
0
added code of conduct
#910
mgiulini
closed
1 week ago
0
implement inter-process communication to `libparallel`
#909
rvhonorato
closed
3 weeks ago
0
Add code of conduct to repo
#908
amjjbonvin
closed
1 week ago
0
remove deprecation warnings
#907
mgiulini
closed
1 week ago
0
handle reference with inverted chains in caprieval
#906
mgiulini
closed
3 weeks ago
0
Inverted chains
#905
mgiulini
closed
3 weeks ago
0
only run codacy-coverage-reporter-action for same repo
#904
rvhonorato
closed
1 month ago
0
Adds the HADDOCK score to the PDB headers - issue #901
#903
amjjbonvin
closed
1 month ago
0
Merge of main branch into the score branch
#902
amjjbonvin
closed
1 month ago
0
Add HADDOCK score to PDB header
#901
amjjbonvin
closed
1 month ago
0
Updating redock branch with latest main
#900
amjjbonvin
closed
1 month ago
0
updating to latest main version
#899
amjjbonvin
closed
1 month ago
0
Add option to keep the existing b-factor in the input PDB
#898
amjjbonvin
closed
1 month ago
2
add possibility to keep input b-factors through the workflow
#897
mgiulini
closed
1 month ago
0
Per interface scoring
#896
amjjbonvin
closed
1 month ago
1
Updated CNS installation instructions
#895
amjjbonvin
closed
1 month ago
5
Wrong path in CONTRIBUTION.md
#894
VGPReys
closed
1 month ago
1
check that file exists before renaming
#893
VGPReys
closed
1 month ago
0
Bug during topoaa when trying to rename file
#892
VGPReys
closed
1 month ago
0
CNS compiling on mac silicone
#891
wifeofbrutus
closed
1 month ago
8
Update CONTRIBUTING.md
#890
AnnaKravchenko
closed
1 month ago
1
Improve alascan output
#889
mgiulini
closed
1 month ago
0
corrected absolute path in seletopclusts
#888
mgiulini
closed
1 month ago
0
Deprecation warnings in `pandas`
#887
VGPReys
closed
1 week ago
0
Improve landing page README
#886
VGPReys
opened
1 month ago
0
wrong path attribute in seletopclusts io.json
#885
mgiulini
closed
1 month ago
0
50.00% of output was not generated for this module and tolerance was set to 0.00%.
#884
Yuanhang2024
opened
2 months ago
11
Remove faulty outputs before saving io.json
#883
VGPReys
closed
2 months ago
1
IO file containing missing entries
#882
VGPReys
closed
2 months ago
0
Define contact distance cutoff parameter in ilrmsdmatrix
#881
VGPReys
closed
2 months ago
0
Save outputs in case of faulty tolerance
#880
VGPReys
closed
2 months ago
0
Having to restart module from scratch when tolerance threshold is set too low
#879
VGPReys
closed
2 months ago
0
Add prefix to model names from input ensemble
#878
VGPReys
closed
2 months ago
0
Origin of models from ensemble
#877
VGPReys
closed
2 months ago
3
Added alascan modules to tests execution and comparison
#876
amjjbonvin
closed
2 months ago
0
Add `codacy/codacy-coverage-reporter-action` action to `tests.yml`
#875
rvhonorato
closed
2 months ago
5
improved postprocessing scaling
#874
mgiulini
closed
1 week ago
4
creating tbl file
#873
pallavi-compchem
closed
2 months ago
6
Next