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.

Install the latest version of this package by entering the following in R:
source("https://bioconductor.org/biocLite.R")
biocLite("BRAIN")
AuthorPiotr Dittwald, with contributions of Dirk Valkenborg and Jurgen Claesen
Bioconductor views MassSpectrometry Proteomics
Date of publicationNone
MaintainerPiotr Dittwald <piotr.dittwald@mimuw.edu.pl>
LicenseGPL-2
Version1.20.0

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