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

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

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6fb4f57
fix: update output to support cif file formats
minh-biocommons Jul 17, 2026
1557646
Merge branch 'dev' of https://github.com/AustralianBioCommons/sbp-bac…
minh-biocommons Jul 17, 2026
aa81cf6
fix: remove CIF format support from AlphaFold and ColabFold
minh-biocommons Jul 17, 2026
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2 changes: 1 addition & 1 deletion app/services/results_utils.py
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Original file line number Diff line number Diff line change
Expand Up @@ -474,7 +474,7 @@ def classify_boltz_proteinfold_output(
sample_id_pattern = re.escape(sample_id) if sample_id else "single_prediction"
return classify_proteinfold_output_key(
key,
pdb_pattern=rf"/boltz/top_ranked_structures/{sample_id_pattern}\.pdb",
pdb_pattern=rf"/boltz/top_ranked_structures/{sample_id_pattern}\.(?:cif|pdb)",
# Find across all subfolders
stats_pattern=rf"/boltz/{sample_id_pattern}/.+\.tsv",
alignment_pattern=rf"/mmseqs/{sample_id_pattern}\.a3m",
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3 changes: 3 additions & 0 deletions tests/test_services_results_utils.py
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Expand Up @@ -437,6 +437,9 @@ def test_boltz_proteinfold_helpers_classify_keys_and_build_prefixes():
assert classify_boltz_proteinfold_output(
f"{run.id}/boltz/top_ranked_structures/T1024.pdb", "T1024"
) == ClassifiedOutput("pdb", "T1024.pdb")
assert classify_boltz_proteinfold_output(
f"{run.id}/boltz/top_ranked_structures/T1024.cif", "T1024"
) == ClassifiedOutput("pdb", "T1024.cif")
assert classify_boltz_proteinfold_output(
f"{run.id}/boltz/T1024/abcd1234.tsv", "T1024"
) == ClassifiedOutput("stats_csv", "abcd1234.tsv")
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