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
  • Open source so that the algorithm is transparent -- the method can be reproduced by anyone in any suitable language

Project Samples

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow pyisocalc

pyisocalc Web Site

Other Useful Business Software
Gen AI apps are built with MongoDB Atlas Icon
Gen AI apps are built with MongoDB Atlas

The database for AI-powered applications.

MongoDB Atlas is the developer-friendly database used to build, scale, and run gen AI and LLM-powered apps—without needing a separate vector database. Atlas offers built-in vector search, global availability across 115+ regions, and flexible document modeling. Start building AI apps faster, all in one place.
Start Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of pyisocalc!

Additional Project Details

Operating Systems

BSD, Linux

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

Python

Related Categories

Python Chemistry Software, Python Calculators

Registered

2013-01-13