Collection of structures & TMAlign #143
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…based on where they are executed
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Hi, I didnt see before what you have done. Can we merge these? That would be awesome! |
Replaced urlretrieve with urlopen for downloading files.
a-r-j
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Sep 1, 2025
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I think it'd be better to reference the structures in tests/data/ than duplicate them.
added support for cif files in stack and align added possibility to modify which records are written out from stack
- Added support for writing mmCIF files - Added CIF file support in stack and align modules - Moved align and tmalign tests to tests/ directory - Updated tests for Windows-Linux compatibility - Updated AlphaFold database version to v6 - Removed non-atom lines from AF file - Updated changelog and fixed documentation links
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Code of Conduct
Description
Two new features were added to the pacakge:
Pull Request Checklist
./docs/sources/CHANGELOG.mdfile (if applicable)./biopandas/*/testsdirectories (if applicable)biopandas/docs/sources/(if applicable)PYTHONPATH='.' pytest ./biopandas -svand 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)flake8 ./biopandas