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Bump PeptideShaker wrappers for InstaNovo support - #828

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BioGeek:peptideshaker

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@BioGeek BioGeek commented Jun 23, 2026

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InstaNovo is a de novo peptide sequencing tool.

This PR adds Galaxy wrapper support for three InstaNovo workflows through SearchGUI:

  • InstaNovo: de novo peptide sequencing with the transformer-based InstaNovo model.
  • InstaNovo+: de novo peptide sequencing with the diffusion-based InstaNovo+ model.
  • InstaNovo with refinement: InstaNovo predictions refined with InstaNovo+.

Changes

  • Bumps wrapper tokens to the SearchGUI and PeptideShaker versions expected to contain InstaNovo support.
  • Adds instanovo ==1.2.2 as a SearchGUI wrapper requirement.
  • Adds SearchGUI wrapper options for:
    • InstaNovo
    • InstaNovo+
    • InstaNovo with refinement
  • Maps those options to:
    • -instanovo
    • -instanovo_plus
    • -instanovo_refine
  • Makes FASTA optional for de novo-only SearchGUI runs.
  • Updates help text for de novo workflows.

Relationship To PR #821

This PR should be rebased on or merged after #821 if that PeptideShaker bump lands first.

PR #821 updates the wrappers for the newer SearchGUI/PeptideShaker line and refreshes test data. This PR layers InstaNovo-specific workflow options on top of that modernization.

Still needed before merge:

  • Rebase on PR peptideshaker bump #821 if it merges first.
  • Update test data after final SearchGUI/PeptideShaker release artifacts are available.
  • Run planemo lint and targeted wrapper tests.

Merge Order

Recommended order:

  1. Add InstaNovo and InstaNovo+ import support CompOmics/compomics-utilities#73
  2. Add SearchGUI support for InstaNovo and InstaNovo+ CompOmics/searchgui#387
  3. Add PeptideShaker import UI support for InstaNovo result files CompOmics/peptide-shaker#570
  4. Add DeNovoGUI compatibility APIs to Utilities CompOmics/compomics-utilities#74
  5. Add InstaNovo support to DeNovoGUI CompOmics/denovogui#53
  6. Update SearchGUI recipe to 4.3.17 bioconda/bioconda-recipes#66604
  7. Update PeptideShaker recipe to 3.0.13 bioconda/bioconda-recipes#66603
  8. Expose InstaNovo workflows in online input form barsnes-group/peptide-shaker-online#30
  9. This PR

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