massxpert

polymer chemistry modelling and mass spectrometry data simulation (runtime)

Description

massXpert allows the user to perform the following tasks:

 - Make brand new polymer chemistry definitions;
 - Use the definitions to easily perform calculations in a desktop
   calculator-like manner;
 - Perform sophisticated polymer sequence editing and simulations;
 - Perform m/z list comparisons;

Chemical simulations encompass cleavage (either chemical or enzymatic), gas-phase fragmentations, chemical modification of any monomer in the polymer sequence, cross-linking of monomers in the sequence, arbitrary mass searches...

This package ships the massXpert program.

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Homepage

http://www.msxpertsuite.org/


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