pyisocalc

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

Isotopic pattern for a hypothetical W6^- ion

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

Build gen AI apps with an all-in-one modern database: MongoDB Atlas

MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.

Start Free

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

Similar Business Software

Connecteam

Connecteam is an award-winning all-in-one employee management solution for daily operations, communications, and human resource management. With Connecteam you can manage every aspect of your business on the go, no workstation needed. Easily engage and manage non-desk employees with...

See Software
Process Street

Process Street is an AI-powered compliance operations platform that automates complex workflows, enforces standards, and tracks audit data in real time. Teams use it to create structured SOPs, assign tasks, collect data, and monitor execution with intelligent oversight. From onboarding and...

See Software
flowdit

Increase productivity by automating checklists, reducing errors, and streamlining workflows. flowdit helps Plant Managers, QA Teams, Commissioning Engineers, and Project Leads automate inspections, centralize audits, and improve profitability while ensuring regulatory compliance. flowdit is a...

See Software
Proton Mail

Proton Mail is the simplest way to protect your communications with built-in end-to-end encryption. Prevent data breaches, stay compliant with regulations like GDPR and HIPAA, and earn client trust. Protected by Swiss privacy laws and trusted by over 50,000 businesses, Proton Mail keeps your...

See Software
ONLYOFFICE Docs

ONLYOFFICE is an open-source project that offers cloud-based and self-hosted solutions for business of all sizes. The key product is ONLYOFFICE Docs, a secure office suite that seamlessly integrates into the most popular platforms, e.g. Odoo, Alfresco, Confluence, Pipedrive, Redmine, SuiteCRM...

See Software
Hubstaff

Hubstaff is a time tracking software that helps teams log hours, monitor productivity, and automate payments — whether remote, hybrid, in-office, or field-based. Available on desktop, web, and mobile, Hubstaff enables employees to track time against specific tasks and projects from anywhere....

See Software