recipe bioconductor-brain

Baffling Recursive Algorithm for Isotope distributioN calculations







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



depends bioconductor-biostrings:


depends r-base:


depends r-lattice:

depends r-polynomf:



You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install bioconductor-brain

and update with::

   mamba update bioconductor-brain

To create a new environment, run:

mamba create --name myenvname bioconductor-brain

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

   docker pull<tag>

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

Download stats