Isotopic pattern calculator in python 2.x
This is an isotopic pattern calculator written in python. It depends on re, sys, numpy, operator, itertools, and matplotlib.
Features
- Accurately calculates isotopic patterns and simulates mass spectra by dividing by charge
- Applies Gaussian broadening (adjustable) to simulate real data
- Written in python -- portable between all major platforms
- Can output the calculated pattern as a tab-separated data file