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.
|Author||Piotr Dittwald, with contributions of Dirk Valkenborg and Jurgen Claesen|
|Bioconductor views||MassSpectrometry Proteomics|
|Date of publication||None|
|Maintainer||Piotr Dittwald <email@example.com>|
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...
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.