:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'bioconductor-brain' .. highlight: bash bioconductor-brain ================== .. conda:recipe:: bioconductor-brain :replaces_section_title: :noindex: Baffling Recursive Algorithm for Isotope distributioN calculations :homepage: https://bioconductor.org/packages/3.18/bioc/html/BRAIN.html :license: GPL-2 :recipe: /`bioconductor-brain `_/`meta.yaml `_ :links: biotools: :biotools:`brain`, doi: :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. .. conda:package:: bioconductor-brain |downloads_bioconductor-brain| |docker_bioconductor-brain| :versions: .. raw:: html
1.48.0-01.46.0-01.44.0-01.40.0-01.38.0-01.36.0-11.36.0-01.34.0-01.32.0-0 ``1.48.0-0``,  ``1.46.0-0``,  ``1.44.0-0``,  ``1.40.0-0``,  ``1.38.0-0``,  ``1.36.0-1``,  ``1.36.0-0``,  ``1.34.0-0``,  ``1.32.0-0``,  ``1.30.0-1``,  ``1.28.1-0``,  ``1.28.0-0``,  ``1.26.0-0``,  ``1.24.0-0`` .. raw:: html
:depends bioconductor-biostrings: ``>=2.70.0,<2.71.0`` :depends r-base: ``>=4.3,<4.4.0a0`` :depends r-lattice: :depends r-polynomf: :requirements: .. rubric:: Installation You need a conda-compatible package manager (currently either `micromamba `_, `mamba `_, or `conda `_) and the Bioconda channel already activated (see :ref:`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 quay.io/biocontainers/bioconductor-brain: (see `bioconductor-brain/tags`_ for valid values for ````) .. |downloads_bioconductor-brain| image:: https://img.shields.io/conda/dn/bioconda/bioconductor-brain.svg?style=flat :target: https://anaconda.org/bioconda/bioconductor-brain :alt: (downloads) .. |docker_bioconductor-brain| image:: https://quay.io/repository/biocontainers/bioconductor-brain/status :target: https://quay.io/repository/biocontainers/bioconductor-brain .. _`bioconductor-brain/tags`: https://quay.io/repository/biocontainers/bioconductor-brain?tab=tags .. raw:: html Download stats ----------------- .. raw:: html :file: ../../templates/package_dashboard.html Link to this page ----------------- Render an |install-with-bioconda| badge with the following MarkDown:: [![install with bioconda](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](http://bioconda.github.io/recipes/bioconductor-brain/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/bioconductor-brain/README.html