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. License: GNU General Public License (GPL) Changes: Intra-molecular cross-links were implemented. For protein chemists, this means that sulfide bonds are now handled in the sequence and that simulation of the fluorescent proteins also (their chromophore is created by internal cross-links involving three monomers). Finding a sequence motif in a polymer sequence was implemented. This is a rather simple implementation but very handy for long polymer sequences. A serious bug with how composite formulas are handled in certain cases was fixed. You should really be upgrading to version 1.7.1 for this reason. Various bugfixes and other small improvements were made.

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