recipe bioconductor-rdisop

Decomposition of Isotopic Patterns

Homepage:

https://bioconductor.org/packages/3.20/bioc/html/Rdisop.html

License:

GPL-2

Recipe:

/bioconductor-rdisop/meta.yaml

In high resolution mass spectrometry (HR-MS), the measured masses can be decomposed into potential element combinations (chemical sum formulas). Where additional mass/intensity information of respective isotopic peaks is available, decomposition can take this information into account to better rank the potential candidate sum formulas. To compare measured mass/intensity information with the theoretical distribution of candidate sum formulas, the latter needs to be calculated. This package implements fast algorithms to address both tasks, the calculation of isotopic distributions for arbitrary sum formulas (assuming a HR-MS resolution of roughly 30,000), and the ranked list of sum formulas fitting an observed peak or isotopic peak set.

package bioconductor-rdisop

(downloads) docker_bioconductor-rdisop

versions:
1.66.0-0,  1.62.0-1,  1.62.0-0,  1.60.0-0,  1.58.0-2,  1.58.0-1,  1.58.0-0,  1.54.0-2,  1.54.0-1, 

1.66.0-0,  1.62.0-1,  1.62.0-0,  1.60.0-0,  1.58.0-2,  1.58.0-1,  1.58.0-0,  1.54.0-2,  1.54.0-1,  1.54.0-0,  1.52.0-0,  1.50.0-1,  1.50.0-0,  1.48.0-0,  1.46.0-0,  1.44.0-1,  1.44.0-0,  1.42.1-0,  1.42.0-0

depends libblas:

>=3.9.0,<4.0a0

depends libgcc:

>=13

depends liblapack:

>=3.9.0,<4.0a0

depends libstdcxx:

>=13

depends r-base:

>=4.4,<4.5.0a0

depends r-rcpp:

requirements:

additional platforms:

Installation

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-rdisop

and update with::

   mamba update bioconductor-rdisop

To create a new environment, run:

mamba create --name myenvname bioconductor-rdisop

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-rdisop:<tag>

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

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Link to this page

Render an install-with-bioconda badge with the following MarkDown:

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