Peptide Fragmentation Modeller

Abstract

The Peptide Fragmentation Modeller is a command-line utility reads that reads in a text file of peptide sequences and generates the theoretical fragmentation pattern for each, outputting the results in a single concatenated DTA file, or in separate .Dta files. The ion intensity values are not predicted values; instead, b, c, y, and z ions are assigned an intensity of 100; while a ions and neutral loss ions receive an intensity of 20.