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Refactor oligo handling to preserve output directory order name - #631

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DimaMolod merged 1 commit into
KosinskiLab:mainfrom
Qrouger:patch-1
Aug 18, 2026
Merged

Refactor oligo handling to preserve output directory order name#631
DimaMolod merged 1 commit into
KosinskiLab:mainfrom
Qrouger:patch-1

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@Qrouger

@Qrouger Qrouger commented Aug 17, 2026

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Problem :
Generate complex containing homo-oligomer create a randomly output name.
exemple :
Input : P15076:5;P33790
Possible output name directory : P15076_homo_5er_and_P33790 or P33790_and_P15076_homo_5er

Cause :
Create a set() randomly reorganising protein order.

Patch :
Replace set() by list(dict.fromkeys())

@DimaMolod
DimaMolod merged commit ea50a9e into KosinskiLab:main Aug 18, 2026
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@DimaMolod

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thanks @Qrouger
I checked the AF3 side: build_af3_combined_json_job_name in alphapulldown/utils/output_paths.py is already order-preserving, so only this branch needs fixing.

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2 participants