Match those fragments!
A work in progress peptide fragmentation matching library for rust.
Features
- Read pro forma sequences (very close to 'level 2-ProForma compliant', with the intention to fully support the whole spec)
- Generate theoretical fragments with control over the fragmentation model from any supported pro forma peptide
- Generate fragments from satellite ions (w, d, and v)
- Read mgf files
- Match spectra to the generated fragments
- Extensive use of
uomfor compile time unit checking - Align peptides based on mass (algorithm will be reworked in the near future) (see
Stitchfor more information, but the algorithm has changed)