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@gezmi gezmi commented Nov 5, 2025

Code of Conduct

OK

Description

  • Added support for writing mmCIF files
  • Added support to read some CIF files while missing some columns
  • Added stacking - a collection of structures to streamline filtering and other operations (with tutorial)
  • Added CIF file support in stack module
  • Added extendable alignment module and implemented TMalign functionality (with tutorial)
  • Updated tests and documentation (AF database version, erronous linking and API markdown format)

Related issues or pull requests

There was an older pull request that I now canceled

Pull Request Checklist

  • Added a note about the modification or contribution to the ./docs/sources/CHANGELOG.md file (if applicable)
  • Added appropriate unit test functions in the ./biopandas/*/tests directories (if applicable)
  • Modify documentation in the corresponding Jupyter Notebook under biopandas/docs/sources/ (if applicable)
  • Ran PYTHONPATH='.' pytest ./biopandas -sv and make sure that all unit tests pass (for small modifications, it might be sufficient to only run the specific test file, e.g., PYTHONPATH='.' pytest ./biopandas/classifier/tests/test_stacking_cv_classifier.py -sv)
  • Checked for style issues by running flake8 ./biopandas

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gezmi commented Nov 6, 2025

I needed to changes things also for appveyor for the tests to pass - it complained python3.11 not being available for win-32

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