:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'msmetaenhancer' .. highlight: bash msmetaenhancer ============== .. conda:recipe:: msmetaenhancer :replaces_section_title: :noindex: MSMetaEnhancer is a Python tool that adds more annotations \(e.g. SMILES\, InChI\, CAS number\) to MSP files. :homepage: https://github.com/RECETOX/MSMetaEnhancer :documentation: https://msmetaenhancer.readthedocs.io/ :license: MIT / MIT :recipe: /`msmetaenhancer `_/`meta.yaml `_ :links: biotools: :biotools:`msmetaenhancer`, doi: :doi:`10.21105/joss.04494` .. conda:package:: msmetaenhancer |downloads_msmetaenhancer| |docker_msmetaenhancer| :versions: .. raw:: html
0.4.0-00.3.0-10.3.0-00.2.5-00.2.4-10.2.4-00.2.3-10.2.3-00.2.2-0 ``0.4.0-0``,  ``0.3.0-1``,  ``0.3.0-0``,  ``0.2.5-0``,  ``0.2.4-1``,  ``0.2.4-0``,  ``0.2.3-1``,  ``0.2.3-0``,  ``0.2.2-0``,  ``0.2.1-0``,  ``0.2.0-0``,  ``0.1.3-1``,  ``0.1.3-0``,  ``0.1.2-0``,  ``0.1.1-0``,  ``0.1.0-0`` .. raw:: html
:depends aiocircuitbreaker: :depends aiohttp: :depends asyncstdlib: :depends frozendict: :depends matchms: :depends multidict: :depends openpyxl: :depends pandas: :depends python: ``>=3.9`` :depends rdkit: :depends requests: :depends scipy: :depends tabulate: :depends twine: :requirements: .. rubric:: Installation You need a conda-compatible package manager (currently either `micromamba `_, `mamba `_, or `conda `_) and the Bioconda channel already activated (see :ref:`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 msmetaenhancer and update with:: mamba update msmetaenhancer To create a new environment, run:: mamba create --name myenvname msmetaenhancer 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/msmetaenhancer: (see `msmetaenhancer/tags`_ for valid values for ````) .. |downloads_msmetaenhancer| image:: https://img.shields.io/conda/dn/bioconda/msmetaenhancer.svg?style=flat :target: https://anaconda.org/bioconda/msmetaenhancer :alt: (downloads) .. |docker_msmetaenhancer| image:: https://quay.io/repository/biocontainers/msmetaenhancer/status :target: https://quay.io/repository/biocontainers/msmetaenhancer .. _`msmetaenhancer/tags`: https://quay.io/repository/biocontainers/msmetaenhancer?tab=tags .. raw:: html Download stats ----------------- .. raw:: html :file: ../../templates/package_dashboard.html Link to this page ----------------- Render an |install-with-bioconda| 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/msmetaenhancer/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/msmetaenhancer/README.html