recipe sirius-csifingerid

SIRIUS (CLI + GUI) LC-MS/MS data analyses framework. Includes: SIRIUS, ZODIAC, CSI:FingerID (with COSMIC) and CANOPUS

Homepage:

https://bio.informatik.uni-jena.de/software/sirius/

Documentation:

https://boecker-lab.github.io/docs.sirius.github.io/

Developer docs:

https://github.com/boecker-lab/sirius

License:

AGPL-3.0-only AND OTHER

Recipe:

/sirius-csifingerid/meta.yaml

SIRIUS is a java-based software framework for the analysis of LC-MS/MS data of metabolites and other small molecules of biological interest. SIRIUS integrates a collection of our tools, including CSI:FingerID (with COSMIC), ZODIAC and CANOPUS. In particular, both the graphical user interface and the command line version of SIRIUS seamlessly integrate the CSI:FingerID and CANOPUS web services.

package sirius-csifingerid

(downloads) docker_sirius-csifingerid

versions:
5.8.6-0,  5.8.5-0,  5.8.4-0,  5.8.3-0,  5.8.2-0,  4.9.15-3,  4.9.15-2,  4.9.15-1,  4.9.15-0, 

5.8.6-0,  5.8.5-0,  5.8.4-0,  5.8.3-0,  5.8.2-0,  4.9.15-3,  4.9.15-2,  4.9.15-1,  4.9.15-0,  4.9.8-2,  4.9.8-1,  4.9.8-0,  4.9.4-0,  4.9.3-0,  4.0.1-1,  4.0.1-0

depends coin-or-cbc:

depends openjdk:

17.*

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 sirius-csifingerid

and update with::

   mamba update sirius-csifingerid

To create a new environment, run:

mamba create --name myenvname sirius-csifingerid

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/sirius-csifingerid:<tag>

(see `sirius-csifingerid/tags`_ for valid values for ``<tag>``)

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Link to this page

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