bioconductor-brain

downloads

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.

Home http://bioconductor.org/packages/3.7/bioc/html/BRAIN.html
Versions 1.26.0, 1.24.0
License GPL-2
Recipe https://github.com/bioconda/bioconda-recipes/tree/master/recipes/bioconductor-brain
Links biotools: brain, doi: 10.1021/ac303439m

Installation

With an activated Bioconda channel (see 2. Set up channels), install with:

conda install bioconductor-brain

and update with:

conda update bioconductor-brain

docker

A Docker container is available at https://quay.io/repository/biocontainers/bioconductor-brain.