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lines changed Original file line number Diff line number Diff line change @@ -59,6 +59,7 @@ The MS³PIP Python application can perform the following tasks:
5959- ``correlate ``: Compare predicted and observed intensities and optionally compute correlations.
6060- ``get-training-data ``: Extract feature vectors and target intensities from observed spectra for
6161 training.
62+ - ``annotate-spectra ``: Annotate peaks in observed spectra.
6263
6364MS²PIP supports a wide range of PSM input formats and spectrum output formats, and includes
6465pre-trained models for multiple fragmentation methods, instruments and labeling techniques. See
Original file line number Diff line number Diff line change 11# isort: skip_file
22"""MS2PIP: Accurate and versatile peptide fragmentation spectrum prediction."""
33
4- __version__ = "4.0.0-dev12 "
4+ __version__ = "4.0.0-dev13 "
55
66from warnings import filterwarnings
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Original file line number Diff line number Diff line change 4040result in a cleavage rule that allows cleavage after any amino acid with an unlimited number of
4141allowed missed cleavages.
4242
43+ To disable protein digestion when the FASTA file contains peptides, set the cleavage rule to
44+ ``-``. This will treat each line in the FASTA file as a separate peptide sequence, but still
45+ allow for modifications and charges to be added.
46+
4347
4448Examples
4549--------
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