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.

AuthorPiotr Dittwald, with contributions of Dirk Valkenborg and Jurgen Claesen
Date of publicationNone
MaintainerPiotr Dittwald <piotr.dittwald@mimuw.edu.pl>
LicenseGPL-2
Version1.20.0

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Files in this package

BRAIN/DESCRIPTION
BRAIN/NAMESPACE
BRAIN/R
BRAIN/R/calculate.differential.R BRAIN/R/get.atoms.from.seq.R BRAIN/R/get.coefficients.R BRAIN/R/input.R BRAIN/R/iso.and.masses.R
BRAIN/build
BRAIN/build/vignette.rds
BRAIN/inst
BRAIN/inst/CITATION
BRAIN/inst/doc
BRAIN/inst/doc/BRAIN-vignette.R
BRAIN/inst/doc/BRAIN-vignette.Rnw
BRAIN/inst/doc/BRAIN-vignette.pdf
BRAIN/inst/extdata
BRAIN/inst/extdata/uniprotBRAIN.txt
BRAIN/man
BRAIN/man/BRAIN-package.Rd BRAIN/man/calculateAverageMass.Rd BRAIN/man/calculateIsotopicProbabilities.Rd BRAIN/man/calculateMonoisotopicMass.Rd BRAIN/man/calculateNrPeaks.Rd BRAIN/man/getAtomsFromSeq.Rd BRAIN/man/useBRAIN.Rd
BRAIN/vignettes
BRAIN/vignettes/BRAIN-vignette.Rnw

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