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massXpert mass spectrometry package

The massXpert software package is a mass spectrometry environment for linear (bio-)polymers. It inherits all the innovations of GNU polyxmass. It allows the detailed definition of new polymer chemistries in the XpertDef module. These chemistry definitions are then used in the desktop calculator-like mass calculator (XpertCalc) and in the sophisticated polymer sequence editor and (bio-)chemical/mass spectrometric simulations module (XpertEdit). Available simulations include polymer and monomer chemical modifications, polymer sequence cleavage, gas-phase fragmentation, m/z ratio calculations, and more.

Tags	education Scientific/Engineering Chemistry Bioinformatics
Licenses	GPL
Operating Systems	Unix POSIX Linux Windows Windows Mac OS X
Implementation	C++
Translations	French

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Recent releases

1.4.0

26 Dec 2012 00:39

Release Notes: This release implements a feature that allows one to enter a coordinates string in the sequence editor window so as to select a specific sequence, make a multi-region selection, or make a multi-selection region. The mzLab GUI has been refactored so as to greatly simplify its use. The French translation has been updated.

3.2.0

23 Oct 2011 22:19

Release Notes: It is now possible to account for cross-links when simulating oligomer fragmentations. Only cross-links that involve monomers all contained in the fragmenting oligomer are taken into account. Updates to the user manual.

3.1.0

30 Aug 2011 06:25

Release Notes: The XpertMiner module was improved to make working with lists easier. A calculation bug was fixed in the isotopic cluster calculation code. A full spectrum simulation feature was added to 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. The user manual was updated.

3.0.0

22 Jul 2011 21:01

Release Notes: A thorough rewrite of the XpertMiner module with many new features and improvements/fixes.

2.9.0

17 Jul 2011 19:56

Release Notes: This release switched the whole XpertMiner module to the TableView data display method. This allows for easier code maintenance and for a clearer graphical user interface. Code in the MzLabInputOligomerTreeView class has been refactored to improve quality and readability. The XpertMiner window layout has more clarity. A feature has been added to call a calculator window right from the sequence editor window with either whole or selected sequence masses pre-seeded.