recipe mzmine

Integrative analysis of multimodal mass spectrometry data

Homepage:

http://mzmine.github.io/

License:

MIT

Recipe:

/mzmine/meta.yaml

MZmine 3 is an open-source and platform-independent software for mass spectrometry (MS) data processing and visualization. It enables large-scale metabolomics and lipidomics research by spectral preprocessing, feature detection, and various options for compound identification, including spectral library querying and creation.

package mzmine

(downloads) docker_mzmine

versions:

3.9.0-03.6.0-0

depends openjdk:

20.*

depends pango:

requirements:

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 mzmine

and update with::

   mamba update mzmine

To create a new environment, run:

mamba create --name myenvname mzmine

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/mzmine:<tag>

(see `mzmine/tags`_ for valid values for ``<tag>``)

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