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feat: Update proteinfold output files to capture structures in cif format (SBP-451)#104

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sbp-451
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feat: Update proteinfold output files to capture structures in cif format (SBP-451)#104
minh-biocommons wants to merge 3 commits into
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sbp-451

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@minh-biocommons

@minh-biocommons minh-biocommons commented Jul 17, 2026

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Pull Request

Summary

SBP-451: Update proteinfold output files to capture structures in cif format

Type of change

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to change)
  • Documentation update

Checklist

  • I have added tests that prove my fix is effective or that my feature works
  • I have added or updated documentation where necessary
  • I have run linting and unit tests locally
  • The code follows the project's style guidelines

@minh-biocommons
minh-biocommons requested a review from vtnphan July 17, 2026 01:47

@vtnphan vtnphan left a comment

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Looks good to me, just wait for the confirmation whether we should keep the regex for CIF in alphafold2 and colabfolb tool.

Comment thread app/services/results_utils.py Outdated
return classify_proteinfold_output_key(
key,
pdb_pattern=rf"/alphafold2/split_msa_prediction/top_ranked_structures/{sample_id_pattern}\.pdb",
pdb_pattern=rf"/alphafold2/split_msa_prediction/top_ranked_structures/{sample_id_pattern}\.(?:cif|pdb)",

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You might need to ask Tom whether CIF is in alphafold2 and colabfold?

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confirmed with Tom and they're not needed

@minh-biocommons
minh-biocommons requested a review from vtnphan July 17, 2026 04:01
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2 participants