ditti2/BRAIN: Baffling Recursive Algorithm for Isotope distributioN calculations

Package for calculating aggregated isotopic distribution and exact center-masses for chemical substances (in this version composed of C, H, N, O and S). This is an implementation of the BRAIN algorithm described in the paper by J. Claesen, P. Dittwald, T. Burzykowski and D. Valkenborg.

Getting started

Package details

AuthorPiotr Dittwald, with contributions of Dirk Valkenborg and Jurgen Claesen
Bioconductor views MassSpectrometry Proteomics
MaintainerPiotr Dittwald <piotr.dittwald@mimuw.edu.pl>
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
ditti2/BRAIN documentation built on Feb. 10, 2020, 5:43 a.m.