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douweschulte
Douwe Schulte
This release adds the following major points:
- Integration with mzdata for raw file handling
- Full ProForma 2.0 compliance by adding support for cross-links, note that many functions and types are renamed
- More control over fragmentation model
- Many more identified peptide file formats
- Updated and somewhat expanded Python bindings
- More reliability thanks to fuzzing efforts
- Updated complexity API, any Peptidoform (formerly LinearPeptide), SequenceElement, and CheckedAminoAcid now has its maximal complexity tracked. This changes many functions on these elements, but should be straightforward to change.
- Added a simple function to open any identified peptides file (see open_identified_peptides_file)
- Updated Unimod, GNOme, and IMGT to the newest versions
- Updated the documentation
- Many many bug fixes
- Optimised memory usage, mostly for identified peptides file (should expect ~20% of the original memory usage)
Many of these introduce breaking changes so any code written for earlier version will needs some (minor to medium) revisions. If there is anything unclear please reach out.
For a full run down of the changed API use 'cargo-public-api' (this changelog is too big for inclusion here).