massXpert is a cross-platfrom software program to simulate and analyse mass spectrometric data obtained on linear (bio-)polymers. Three modules allow 1) making brand new polymer chemistry definitions; 2) using the definitions to perform easy calculations in a desktop calculator-like manner and 3) performing sophisticated polymer sequence editing and simulations. Chemical simulations encompass cleavage (either chemical or enzymatic), gas-phase fragmentations, chemical modification of any monomer in the polymer sequence, monomer cross-links, arbitrary mass searches, calculation of the isotopic pattern...
massXpert is Free Software published under the General Public License version 3+ (GPL v3 or later).
This git repository will make the source of the massXpert software project available to the outside world.