github snijderlab/annotator v1.1.0
Version 1.1.0 - Glycan visualisation & even more complex fragmentation

10 days ago
  • Added glycan visualisations both full structures and fragments, in the spectrum, on peptides, and when searching / displaying modifications
  • Custom models can be saved (and backed up and shared between machines)
  • Added support for a basic CSV file to open as identified peptide (needing 'scan_index', 'z', 'raw_file', 'sequence', and possibly 'mode' as columns)
  • Added support for more complex fragmentation model
    • Added amino acid specific neutral losses to peptide fragments
    • Added side chain losses from peptide fragments
    • Added variant ions, where ions lose or gain hydrogen, z· means z + H, z' means z - H
    • Added control over glycan fragments on peptide fragments
    • Added control to neutral losses of glycan diagnostic ions and immonium ions
    • Added satellite ions distant from the parent breakage, nw indicates a w ion where the nth side chain (starting at 0) from the parent z ion fragments off
  • MS2 annotations are ordered on crude likelihood
  • General bug fixes, amongst others fixed high memory usage on merging spectra
  • Added the manual in the Annotator to make it easy to find

See the assets to download the installers.

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