Skip to content

Conversation

@mgiulini
Copy link
Contributor

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 #866 by:

  • changing the plot title
  • changing the sign of the deltas
  • removing the ori_score field, that was containing the difference between the emscoring score of the mutant and the existing score attribute of the wildtype (potentially coming from any module). This does not make much sense, as the only thing that matters is the difference between the two emscoring values

@mgiulini mgiulini marked this pull request as ready for review May 14, 2024 15:34
@mgiulini mgiulini self-assigned this May 14, 2024
@mgiulini mgiulini added enhancement Improving something in the codebase m|alascan labels May 14, 2024
@mgiulini mgiulini requested review from VGPReys and amjjbonvin May 14, 2024 15:41
@mgiulini mgiulini merged commit 127561d into main May 15, 2024
@mgiulini mgiulini deleted the improve_alascan_output branch May 15, 2024 08:32
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

enhancement Improving something in the codebase m|alascan

Projects

None yet

Development

Successfully merging this pull request may close these issues.

Alascan presentation of results

3 participants