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You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:

  • You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
  • Your PR is about CNS
  • Your code is well documented: proper docstrings and explanatory comments for those tricky parts
  • You structured the code into small functions as much as possible. You can use classes if there is a (state) purpose
  • Your code follows our coding style
  • You wrote tests for the new code
  • tox tests pass. Run tox command inside the repository folder
  • -test.cfg examples execute without errors. Inside examples/ run python run_tests.py -b
  • PR does not add any dependencies, unless permission granted by the HADDOCK team
  • PR does not break licensing
  • Your PR is about writing documentation for already existing code 🔥
  • Your PR is about writing tests for already existing code :godmode:

Closes #821 and Closes #822

@mgiulini mgiulini self-assigned this Mar 13, 2024
@mgiulini mgiulini added bug Something isn't working integration Integration with other platforms: servers, workflows, interfaces, etc workflow All the general parts of HADDOCK3 not related to any module in particular labels Mar 14, 2024
@mgiulini mgiulini requested a review from VGPReys March 19, 2024 13:15
@mgiulini mgiulini marked this pull request as ready for review March 19, 2024 13:15
@sverhoeven
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It works for me, I was able to run the re-clustfcc on the 03_clustfcc module on the docking-protein-protein-cltsel-full example from the webapp.

@mgiulini mgiulini merged commit ec6587f into main Apr 9, 2024
@mgiulini mgiulini deleted the interactivity_fixes branch April 9, 2024 15:28
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bug Something isn't working integration Integration with other platforms: servers, workflows, interfaces, etc workflow All the general parts of HADDOCK3 not related to any module in particular

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wrong absolute path in some io.json files Analysis of re clustfcc silently fails

4 participants