Dienstag, 27. Oktober 2015

My first python package on pypi - mspy

Have you heard about http://www.mmass.org/?
It's a python application (with a GUI) for processing and visualizing mass spectrometric data.
Unfortunately, development is discontinued (the latest release was  Jul 1, 2013)*. Unfortunately since there are a few cool features in mMass:
  • mzXML file access
  • peak detection and deisotoping
  • recalibration
  • ...

Since mMass, at the first glance is code of good quality, and algorithms are separated from the GUI, it was relatively easy to create a python package containing the algorithm part**. This part is now available as package here:

https://pypi.python.org/pypi/mspy

(Windows 64 version for the start)

so
pip install mspy
will do.

The sources of the package is now here:
https://github.com/wolski/mspy

There are no unit tests (I did not find any, if I will be using mspy I will be adding some).


* Martin Strohalm, PhD. the developer of mMass is now, according to his linked in profile, at Thermo Fischer in Bremen developing I guess some super cool software in C# for the Thermo Orbitrap Mass-specs.

** Although the author specified in the setup.py file is Martin Strohalm at pypi I am missleadingly specified as the author!?

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