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[codex] Fix mmseqs2 TrueMultimer custom template support#607

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DimaMolod merged 1 commit intomainfrom
codex/fix-332-mmseqs2-truemultimer
Apr 9, 2026
Merged

[codex] Fix mmseqs2 TrueMultimer custom template support#607
DimaMolod merged 1 commit intomainfrom
codex/fix-332-mmseqs2-truemultimer

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Summary

This PR fixes create_individual_features.py so TrueMultimer custom template databases are forwarded into the mmseqs2 feature-generation path.

Closes #332.

Root cause

TrueMultimer already creates a local custom template database, but the mmseqs2 branch dropped that path and always called ColabFold with custom_template_path=None. As a result, multimeric templates were ignored whenever --use_mmseqs2 was enabled.

What changed

  • add custom_template_path plumbing to create_and_save_monomer_objects()
  • pass the generated TrueMultimer custom template database into make_mmseq_features()
  • update MonomericObject.make_mmseq_features() to forward custom_template_path to ColabFold
  • automatically enable template re-search when a custom template path is supplied
  • add regression tests for the create_individual_features.py and objects.py code paths

Validation

  • pytest -q test/integration/test_create_individual_features.py -k 'mmseqs or process_multimeric_features or create_and_save_monomer_objects'
  • pytest -q test/unit/test_objects.py -k 'mmseq_features'
  • pytest -q test/unit/test_mmseqs_species_identifiers.py
  • pytest -q test/integration/test_create_individual_features.py

@DimaMolod DimaMolod marked this pull request as ready for review April 9, 2026 14:27
@DimaMolod DimaMolod merged commit 0b09aa1 into main Apr 9, 2026
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@DimaMolod DimaMolod deleted the codex/fix-332-mmseqs2-truemultimer branch April 9, 2026 14:28
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Make it possible to run create_individual_features.py with multimeric tempaltes using mmseqs2

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