recipe proteomiqon-mzmltomzlite

The tool MzMLToMzLite allows to convert mzML files to mzLite files.

Homepage:

https://csbiology.github.io/ProteomIQon/

Documentation:

https://csbiology.github.io/ProteomIQon/tools/MzMLToMzLite.html

Developer docs:

https://github.com/CSBiology/ProteomIQon

License:

MIT

Recipe:

/proteomiqon-mzmltomzlite/meta.yaml

The success of modern proteomics was made possible by constant progression in the field of mass spectrometry. Over the course of the past years quite a few manufacturers of mass spectrometers have managed to establish themselfes in the field of biological research. Since aquisition and accession of mass spectra are performance critical processes, various performance optimized, but vendor specific and closed source formats have been developed to store raw MS data. This comes to the disadvantage for toolchain developers which want to provide tools for every scientist regardless of the format of their raw data.

package proteomiqon-mzmltomzlite

(downloads) docker_proteomiqon-mzmltomzlite

Versions:

0.0.8-00.0.5-00.0.4-0

Depends:
  • on dotnet-runtime 5.0.*

  • on openssl 1.1.*

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 proteomiqon-mzmltomzlite

to add into an existing workspace instead, run:

pixi add proteomiqon-mzmltomzlite

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 proteomiqon-mzmltomzlite

Alternatively, to install into a new environment, run:

conda create -n envname proteomiqon-mzmltomzlite

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/proteomiqon-mzmltomzlite:<tag>

(see proteomiqon-mzmltomzlite/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.

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