massXpert 3.1: mass spectrometry software

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massXpert 3.1 is available for download.

The massXpert project aims at providing (bio)chemists 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.

via massXpert: mass spectrometry software

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