Graphical user interface (GUI) added, built with Gooey
Install with pip install ms2rescore[gui] and run python -m ms2rescore.gui
Install, upgrade, and run scripts added for Windows users without an existing Python installation who simply want to use the new GUI
MSĀ²Rescore can now output a PDF with useful plots displaying the results.
Refactoring and minor changes š§
ā ļøBreaking change: MSĀ³Rescore is now written with a lowercase S (instead of "MSĀ²ReScore). This means that some class names and exceptions have been renamed accordingly, breaking the Python API with previous versions.
ā ļøBreaking change: The feature_sets option now expects instead of a string with a predefined feature set, such as ms2pip_rt, a list of strings including one of the following: searchengine, rt, or ms2pip. By default, MSĀ²Rescore uses all features: ['searchengine', 'rt', 'ms2pip'].
MSĀ²PIP is now imported and called through the Python API instead of the CLI
Improvements š
pip install ms2rescore[gui]
and runpython -m ms2rescore.gui
Refactoring and minor changes š§
feature_sets
option now expects instead of a string with a predefined feature set, such asms2pip_rt
, a list of strings including one of the following:searchengine
,rt
, orms2pip
. By default, MSĀ²Rescore uses all features:['searchengine', 'rt', 'ms2pip']
.