[Biopython] Potentially useful modules for Mass Spec

[David Martin]

I've just contributed a couple of elementary modules to Pypi for handling/plotting some Mass Spec data. More to follow.

The modules are a basic wrapper around Unimod

pip install Unimod should work. I haven't checked that the README made it along too.

The other is two modules in the MSPlot package that allow for manipulation and plotting of data. ms1pep has simple charge calculatiosn and extraction and plotting routines for XIC from mzML files.

msplot3d plots regions of an MS1 LCMS run with features and MS2 event windows shown. It will allow filtering of peaks to just show the feature of interest.

These are functional  but could always do with some work (particularly controlling axes in matplotlib 3D plots).

pip install MSPlot

If the README files haven't made it along in the package then I can do something to add them.

..d



The University of Dundee is a registered Scottish Charity, No: SC015096