Package Recipe 'bioconductor-cliquems'

recipe bioconductor-cliquems

Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data

Homepage:: https://bioconductor.org/packages/3.20/bioc/html/cliqueMS.html
License:: GPL (>= 2)
Recipe:: /bioconductor-cliquems/meta.yaml

Annotates data from liquid chromatography coupled to mass spectrometry (LC/MS) metabolomics experiments. Based on a network algorithm (O.Senan, A. Aguilar- Mogas, M. Navarro, O. Yanes, R.Guimerà and M. Sales-Pardo, Bioinformatics, 35(20), 2019), 'CliqueMS' builds a weighted similarity network where nodes are features and edges are weighted according to the similarity of this features. Then it searches for the most plausible division of the similarity network into cliques (fully connected components). Finally it annotates metabolites within each clique, obtaining for each annotated metabolite the neutral mass and their features, corresponding to isotopes, ionization adducts and fragmentation adducts of that metabolite.

package bioconductor-cliquems¶

Versions:

1.24.0-0, 1.20.0-0, 1.16.0-0, 1.13.0-0, 1.12.0-1, 1.12.0-0, 1.8.0-2, 1.8.0-1, 1.8.0-0,

1.24.0-0, 1.20.0-0, 1.16.0-0, 1.13.0-0, 1.12.0-1, 1.12.0-0, 1.8.0-2, 1.8.0-1, 1.8.0-0, 1.6.0-0, 1.4.0-1, 1.4.0-0, 1.2.0-0

Depends:

on bioconductor-msnbase >=2.36.0,<2.37.0
on bioconductor-msnbase >=2.36.0,<2.37.0a0
on bioconductor-xcms >=4.8.0,<4.9.0
on bioconductor-xcms >=4.8.0,<4.9.0a0
on libblas >=3.9.0,<4.0a0
on libgcc >=14
on liblapack >=3.9.0,<4.0a0
on liblzma >=5.8.2,<6.0a0
on libstdcxx >=14
on libzlib >=1.3.1,<2.0a0
on r-base >=4.5,<4.6.0a0
on r-bh
on r-coop
on r-igraph
on r-matrixstats
on r-rcpp >=0.12.15
on r-rcpparmadillo
on r-slam

Additional platforms:

Installation¶

You need a conda-compatible package manager (currently either pixi, conda, or micromamba) and the Bioconda channel already activated (see Usage). Below, we show how to install with either pixi or conda (for micromamba and mamba, commands are essentially the same as with conda).

Pixi¶

With pixi installed and the Bioconda channel set up (see Usage), to install globally, run:

pixi global install bioconductor-cliquems

to add into an existing workspace instead, run:

pixi add bioconductor-cliquems

In the latter case, make sure to first add bioconda and conda-forge to the channels considered by the workspace:

pixi workspace channel add conda-forge
pixi workspace channel add bioconda

Conda¶

With conda installed and the Bioconda channel set up (see Usage), to install into an existing and activated environment, run:

conda install bioconductor-cliquems

Alternatively, to install into a new environment, run:

conda create -n envname bioconductor-cliquems

with envname being the name of the desired environment.

Container¶

Alternatively, every Bioconda package is available as a container image for usage with your preferred container runtime. For e.g. docker, run:

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

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

Integrated deployment¶

Finally, note that many scientific workflow management systems directly integrate both conda and container based software deployment. Thus, workflow steps can be often directly annotated to use the package, leading to automatic deployment by the respective workflow management system, thereby improving reproducibility and transparency. Check the documentation of your workflow management system to find out about the integration.

Download stats¶

Link to this page¶

Render an 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-cliquems/README.html)