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Doc updates; version bump
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RalfG committed May 9, 2024
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1 change: 1 addition & 0 deletions README.rst
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Expand Up @@ -59,6 +59,7 @@ The MS³PIP Python application can perform the following tasks:
- ``correlate``: Compare predicted and observed intensities and optionally compute correlations.
- ``get-training-data``: Extract feature vectors and target intensities from observed spectra for
training.
- ``annotate-spectra``: Annotate peaks in observed spectra.

MS²PIP supports a wide range of PSM input formats and spectrum output formats, and includes
pre-trained models for multiple fragmentation methods, instruments and labeling techniques. See
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2 changes: 1 addition & 1 deletion ms2pip/__init__.py
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# isort: skip_file
"""MS2PIP: Accurate and versatile peptide fragmentation spectrum prediction."""

__version__ = "4.0.0-dev12"
__version__ = "4.0.0-dev13"

from warnings import filterwarnings

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4 changes: 4 additions & 0 deletions ms2pip/search_space.py
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result in a cleavage rule that allows cleavage after any amino acid with an unlimited number of
allowed missed cleavages.
To disable protein digestion when the FASTA file contains peptides, set the cleavage rule to
``-``. This will treat each line in the FASTA file as a separate peptide sequence, but still
allow for modifications and charges to be added.
Examples
--------
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