:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'synth-nmr' .. highlight: bash synth-nmr ========= .. conda:recipe:: synth-nmr :replaces_section_title: :noindex: NMR spectroscopy calculations for protein structures :homepage: https://github.com/elkins/synth-nmr :license: MIT / MIT :recipe: /`synth-nmr `_/`meta.yaml `_ .. conda:package:: synth-nmr |downloads_synth-nmr| |docker_synth-nmr| :versions: ``0.6.1-0``,  ``0.2.0-0`` :depends biotite: ``>=0.35.0`` :depends numpy: ``>=1.20`` :depends python: ``>=3.8`` :requirements: :additional platforms: .. 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 synth-nmr and update with:: mamba update synth-nmr To create a new environment, run:: mamba create --name myenvname synth-nmr 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/synth-nmr: (see `synth-nmr/tags`_ for valid values for ````) .. |downloads_synth-nmr| image:: https://img.shields.io/conda/dn/bioconda/synth-nmr.svg?style=flat :target: https://anaconda.org/bioconda/synth-nmr :alt: (downloads) .. |docker_synth-nmr| image:: https://quay.io/repository/biocontainers/synth-nmr/status :target: https://quay.io/repository/biocontainers/synth-nmr .. _`synth-nmr/tags`: https://quay.io/repository/biocontainers/synth-nmr?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/synth-nmr/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/synth-nmr/README.html