Published June 23, 2022
| Version v3.0.0-beta.2
Software
Open
haddocking/haddock3: v3.0.0-beta.2
Authors/Creators
- 1. @UtrechtUniversity
- 2. Utrecht University
- 3. Zymvol Biomodeling
- 4. Netherlands eScience Center
Description
What's Changed since v3.0.0-beta.1
- Refactor
caprievalby @rvhonorato in https://github.com/haddocking/haddock3/pull/441 - Generate
.rstdocumentation page for.yamldefault configuration files by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/436 - Add user documentation on configuration files by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/445
- Update
MANIFEST.inby @joaomcteixeira in https://github.com/haddocking/haddock3/pull/455 - Enhance clustering protocols by @rvhonorato in https://github.com/haddocking/haddock3/pull/454
- amended clt_threshold behavior by @mgiulini in https://github.com/haddocking/haddock3/pull/460
- Add
md5property tolibontologyby @rvhonorato in https://github.com/haddocking/haddock3/pull/459 - Populate
mol_expandable parameters when using--extend-runby @joaomcteixeira in https://github.com/haddocking/haddock3/pull/450 - Allows single entries in
moleculesparameter by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/439 - add cluster name to
seletopclusts.txtby @rvhonorato in https://github.com/haddocking/haddock3/pull/462 - add tests to
topoaaby @rvhonorato in https://github.com/haddocking/haddock3/pull/461 - add haddock3-docs to .gitignore by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/463
- remove duplicated entry in
clustfcc.txtby @rvhonorato in https://github.com/haddocking/haddock3/pull/465 - Corrects bug in
--restartoption by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/467 - Add missing header to
seletopclusts.txtby @rvhonorato in https://github.com/haddocking/haddock3/pull/471 - Implements clean output - compress/archive output files by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/468
- Corrects check modules names in config on startup by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/477
- Update CI workflows by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/478
- Improve reading
md5fromREMARKlines by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/475 - Allows
topoaato run in different parts of the workflow by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/474 - Adds parameter validation to general parameters by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/479
- Improves mandatory parameter check by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/481
- added chain-matching AlignError by @mgiulini in https://github.com/haddocking/haddock3/pull/483
- added single linkage as clustrmsd default by @mgiulini in https://github.com/haddocking/haddock3/pull/486
- added check on tolerance in clustrmsd by @mgiulini in https://github.com/haddocking/haddock3/pull/489
- run analysis modules after topoaa by @mgiulini in https://github.com/haddocking/haddock3/pull/484
- Add general parameters to
haddock3-cfgclient by @joaomcteixeira in https://github.com/haddocking/haddock3/pull/476
Full Changelog: https://github.com/haddocking/haddock3/compare/v3.0.0-beta.1...v3.0.0-beta.2
Files
haddocking/haddock3-v3.0.0-beta.2.zip
Additional details
Related works
- Is supplement to
- https://github.com/haddocking/haddock3/tree/v3.0.0-beta.2 (URL)