massXpert is a free and open-source solution for desktop prediction/analysis of mass spectrometric data in proteomic projects.
massXpert allows the detailed definition of new polymer chemistries in the XpertDef module.
These chemistry definitions are then used in the sophisticated polymer sequence editor and (bio-)chemical/mass spectrometric simulations module (XpertEdit) and in the desktop calculator-like mass calculator (XpertCalc).
Available simulations include monomer and polymer chemical modifications, gas-phase fragmentation, m/z ratio calculations, polymer sequence cleavage, and more.
Here are some key features of "massXpert":
· highly configurable sequence editor using user-defined monomer vignettes
· definition of atoms with any number of isotopic mass/abundance pairs
· definition of brand new polymer chemistries
· polymer sequence cleavage using user-defined flexible cleavage agents
· gas-phase fragmentation of oligomers using user-defined flexible fragmentation rules
· powerful mass search in a polymer sequence with associated ion charge values ranges
· powerful Copy/Paste paradigm allowing the pasted polymer sequence to be purified
· calculation of isotopic pattern of any chemical starting from a formula
What's New in This Release: [ read full changelog ]
· Implemented 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.