| name | proteomics-identification |
| description | Database search for peptide/protein identification using MaxQuant, MS-GF+, Comet, or Mascot. |
| version | 0.1.0 |
| author | OmicsClaw |
| license | MIT |
| tags | ["proteomics","peptide-identification","MaxQuant","MS-GF+","Comet"] |
| metadata | {"omicsclaw":{"domain":"proteomics","emoji":"🔬","trigger_keywords":["peptide identification","database search","MaxQuant","MS-GF+","Comet","Mascot"],"allowed_extra_flags":[],"legacy_aliases":["peptide-id"],"saves_h5ad":false}} |
🔬 Peptide Identification
Peptide and protein identification from MS/MS spectra. Wraps MaxQuant/Andromeda, MS-GF+, and Comet.
CLI Reference
python omicsclaw.py run peptide-id --demo
python omicsclaw.py run peptide-id --input <spectra.mzml> --output <dir>
Why This Exists
- Without it: Raw mzML spectra are just m/z peaks, lacking biological meaning
- With it: Compares experimental MS/MS to in silico digested protein databases accurately
- Why OmicsClaw: Standardizes execution of major engines (MaxQuant, Comet) avoiding complex GUIs
Workflow
- Calculate: Prepare target-decoy databases and enzyme rules.
- Execute: Run spectral similarity searches.
- Assess: Perform FDR filtering via Percolator or Andromeda.
- Generate: Output structural mappings of Peptides to Proteins.
- Report: Tabulate key identification metrics.
Example Queries
- "Identify peptides using MaxQuant on this mzML"
- "Search this raw file with MS-GF+"
Output Structure
output_directory/
├── report.md
├── result.json
├── identified.csv
├── figures/
│ └── fdr_distribution.png
├── tables/
│ └── peptide_evidence.csv
└── reproducibility/
├── commands.sh
├── requirements.txt
└── checksums.sha256
Safety
- Local-first: Strict offline processing without external upload.
- Disclaimer: Requires OmicsClaw reporting structures and disclaimers.
- Audit trail: Hyperparameters and operational flow states are logged fully.
Integration with Orchestrator
Trigger conditions:
- Automatically invoked dynamically based on tool metadata and user intent matching.
Chaining partners:
ms-qc — Upstream quality checks
quantification — Downstream quantitative aggregation
Citations