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Massxpert

May 26, 2018

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The massXpert project aims at providing biochemists with a software package allowing the following

  • User-specific atom definitions and polymer chemistry definitions;
  • Powerful sequence editing with user-defined glyphs for each monomer and monomer chemical modification. Multi-region selections;
  • Polymer sequence chemical/enzymatic cleavage;
  • Intramolecular cross-linking, like disulfide bonds with total resolution of the peptides generated upon enzymatic cleavage;
  • Gas-phase fragmentation of oligomers;
  • Mass-to-charge ratio calculations with inline change of ionization agent;
  • Calculation of net electrical charge and of isoelectric point even by taking into account monomer modifications if polymer is a protein;
  • Simulation of isotopic patterns for any chemical formula and z charge;
  • A number of plugins allow 1 translation of the sequence from one format to another using a dictionary, like between the 1-letter code and the 3-letter code of proteins 2 conversion of number format according to any localized number format 3 sort mass lists.

WWW http//massxpert.tuxfamily.org/