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v0.11.0

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@douweschulte douweschulte released this 25 Sep 15:15
· 223 commits to main since this release
b1a6d91

This release adds the following major points:

  • Added standard proteases (thanks to @aukeheerdink)
  • Refactored and updated identified peptidoform files
    • Added support for opening specific versions and reporting which version was detected
    • Moved all metadata functions to a new trait MetaData
    • Added support for CSV files with a byte order mark (BOM)
  • Added and updated many specific identified peptidoform file formats
    • Added support for more FragPipe and MSFragger output files and versions and parsed more of the data
    • Added support for Peaks 13 DIA data
    • Added support for proteoscape
    • Added support for pUniFind
    • Added support for AdaNovo (thanks to @aukeheerdink)
    • Added support for InstaNovo v1.1.4 (thanks to @aukeheerdink)
    • Added support for π-HelixNovo (thanks to @aukeheerdink)
    • Added support for π-PrimeNovo (thanks to @aukeheerdink)
    • Added support for Casanovo v5 specific flavoured mzTab files
    • Fully parse the de novo sequences from MaxNovo
    • Expanded support for mzTab files, modifications, ambiguous modifications, and proteins
  • Added AsRef implementations for Peptidoform to allow more flexibility in the mixing of different complexity levels
  • Added a HasPeptidoform trait and used this in the alignments allowing for flexibility in the exact data structures used during the alignment
  • Extended neutral losses to allow for multiples, for example two times a water loss can now be expressed as -2H2O instead of -H4O2
  • Refactored ppm calculation for higher performance
  • Refactored mass based alignment for higher performance (~2x faster!) (thanks to @gritukan)
  • Bumped msrv to 1.88
  • Added ambiguous nucleotides to the codon translation code
  • Factored out the error handling code into a separate crate, this does change the API slightly but also makes the errors much more correct
  • Lots of refactoring and reorganising