recipe bioconductor-brain

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.

Homepage

https://bioconductor.org/packages/3.9/bioc/html/BRAIN.html

License

GPL-2

Recipe

/bioconductor-brain/meta.yaml

Links

biotools: brain, doi: 10.1021/ac303439m

package bioconductor-brain

(downloads) docker_bioconductor-brain

Versions

1.28.1-0, 1.28.0-0, 1.26.0-0, 1.24.0-0

Depends bioconductor-biostrings

>=2.50.0,<2.51.0

Depends r-base

>=3.5.1,<3.5.2.0a0

Depends r-lattice

Depends r-polynomf

Requirements

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>)