diff --git a/README.rst b/README.rst index 109004f..ccd046c 100644 --- a/README.rst +++ b/README.rst @@ -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 diff --git a/ms2pip/__init__.py b/ms2pip/__init__.py index 6c028fc..b25bb5e 100644 --- a/ms2pip/__init__.py +++ b/ms2pip/__init__.py @@ -1,7 +1,7 @@ # 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 diff --git a/ms2pip/search_space.py b/ms2pip/search_space.py index 0c08192..be31109 100644 --- a/ms2pip/search_space.py +++ b/ms2pip/search_space.py @@ -40,6 +40,10 @@ 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 --------