recipe bioconductor-brain

Baffling Recursive Algorithm for Isotope distributioN calculations

Homepage

https://bioconductor.org/packages/3.12/bioc/html/BRAIN.html

License

GPL-2

Recipe

/bioconductor-brain/meta.yaml

Links

biotools: brain, doi: 10.1021/ac303439m

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.

package bioconductor-brain

(downloads) docker_bioconductor-brain

Versions

1.36.0-01.34.0-01.32.0-01.30.0-11.28.1-01.28.0-01.26.0-01.24.0-0

Depends
Required By

Installation

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

conda install bioconductor-brain

and update with:

conda update bioconductor-brain

or use the docker container:

docker pull quay.io/biocontainers/bioconductor-brain:<tag>

(see bioconductor-brain/tags for valid values for <tag>)