BRAIN: Baffling Recursive Algorithm for Isotope distributioN calculations
Version 1.22.0

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.

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
Version1.22.0
Package repositoryView on Bioconductor
InstallationInstall the latest version of this package by entering the following in R:
source("https://bioconductor.org/biocLite.R")
biocLite("BRAIN")

Getting started

Package overview

Popular man pages

BRAIN-package: Implementation of BRAIN (Baffling Recursive Algorithm for...
calculateAverageMass: Function computing theoretical average masses.
calculateIsotopicProbabilities: Function computing probabilities of aggregated isotopic...
calculateMonoisotopicMass: Function computing theoretical monoisotopic masses.
calculateNrPeaks: Function computing heuristically the required number of...
getAtomsFromSeq: Function computing an atomic composition from amono acid...
useBRAIN: Function computing probabilities of aggregated isotopic...
See all...

All man pages Function index File listing

Man pages

BRAIN-package: Implementation of BRAIN (Baffling Recursive Algorithm for...
calculateAverageMass: Function computing theoretical average masses.
calculateIsotopicProbabilities: Function computing probabilities of aggregated isotopic...
calculateMonoisotopicMass: Function computing theoretical monoisotopic masses.
calculateNrPeaks: Function computing heuristically the required number of...
getAtomsFromSeq: Function computing an atomic composition from amono acid...
useBRAIN: Function computing probabilities of aggregated isotopic...

Functions

BRAIN Man page
BRAIN-package Man page
calculateAverageMass Man page Source code
calculateDifferential Source code
calculateIsotopicProbabilities Man page Source code
calculateMassCoefList Source code
calculateMonoisotopicMass Man page Source code
calculateNrPeaks Man page Source code
checkOption Source code
getAC Source code
getACListValue Source code
getACVec Source code
getAtomsFromAminoacid Source code
getAtomsFromSeq Man page Source code
getCoefficients Source code
getCoefficientsIso Source code
getListAtoms Source code
peaksFromParameters Source code
useBRAIN Man page Source code

Files

DESCRIPTION
NAMESPACE
R
R/calculate.differential.R
R/get.atoms.from.seq.R
R/get.coefficients.R
R/input.R
R/iso.and.masses.R
build
build/vignette.rds
inst
inst/CITATION
inst/doc
inst/doc/BRAIN-vignette.R
inst/doc/BRAIN-vignette.Rnw
inst/doc/BRAIN-vignette.pdf
inst/extdata
inst/extdata/uniprotBRAIN.txt
man
man/BRAIN-package.Rd
man/calculateAverageMass.Rd
man/calculateIsotopicProbabilities.Rd
man/calculateMonoisotopicMass.Rd
man/calculateNrPeaks.Rd
man/getAtomsFromSeq.Rd
man/useBRAIN.Rd
vignettes
vignettes/BRAIN-vignette.Rnw
BRAIN documentation built on May 20, 2017, 9:53 p.m.

Questions? Problems? Suggestions? Tweet to @rdrrHQ or email at ian@mutexlabs.com.

Please suggest features or report bugs in the GitHub issue tracker.

All documentation is copyright its authors; we didn't write any of that.