- recipe bioconductor-metabocoreutils
Core Utils for Metabolomics Data
MetaboCoreUtils defines metabolomics-related core functionality provided as low-level functions to allow a data structure-independent usage across various R packages. This includes functions to calculate between ion (adduct) and compound mass-to-charge ratios and masses or functions to work with chemical formulas. The package provides also a set of adduct definitions and information on some commercially available internal standard mixes commonly used in MS experiments.
- package bioconductor-metabocoreutils¶
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-metabocoreutils and update with:: mamba update bioconductor-metabocoreutils
To create a new environment, run:
mamba create --name myenvname bioconductor-metabocoreutils
myenvnamebeing 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-metabocoreutils:<tag> (see `bioconductor-metabocoreutils/tags`_ for valid values for ``<tag>``)