massXpert mass spectrometry package iconmassXpert mass spectrometry package 3.2.0

A mass spectrometry environment for linear (bio-) polymers.
massXpert mass spectrometry package is a mass spectrometry environment for linear (bio-) polymers. It inherits all the innovations of GNU polyxmass, as it is a port of that project to a cross-platform development environment.

last updated on:
October 24th, 2011, 9:29 GMT
price:
FREE!
developed by:
Filippo Rusconi
license type:
GPL v3 
category:
ROOT \ Science and Engineering \ Bioinformatics

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massXpert mass spectrometry package
What's New in version 3.1.0
  • Improvements in the XpertMiner module that make working with lists easier;
  • Fixed calculation bug which appeared when computing the isotopic cluster of a large polymer with low resolution... the peak shape would not be centered in the average centroid value.
  • Added a full spectrum simulation feature that allows one to compute a spectrum (optionally with all the isotopic clusters) on the basis of a list of oligomers obtained by cleavage of a given polymer;
  • Same as above but after computing a set of m/z ratios starting from a chemical formula;
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