:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'ligand-validation' .. highlight: bash ligand-validation ================= .. conda:recipe:: ligand-validation :replaces_section_title: :noindex: Extract ligand and binding site information from PDB X\-ray validation reports :homepage: https://git.scicore.unibas.ch/schwede/ligand-validation :documentation: https://git.scicore.unibas.ch/schwede/ligand-validation/-/blob/master/README.md :license: Apache-2.0 :recipe: /`ligand-validation `_/`meta.yaml `_ This project contains script for the validation of the quality of a PDB entry\, ligand and binding site based on the PDB Validation pipeline. .. conda:package:: ligand-validation |downloads_ligand-validation| |docker_ligand-validation| :versions: ``0.0.1-0`` :depends lxml: :depends mmcif: :depends openstructure: :depends pandas: :depends python: :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 ligand-validation and update with:: mamba update ligand-validation To create a new environment, run:: mamba create --name myenvname ligand-validation 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/ligand-validation: (see `ligand-validation/tags`_ for valid values for ````) .. |downloads_ligand-validation| image:: https://img.shields.io/conda/dn/bioconda/ligand-validation.svg?style=flat :target: https://anaconda.org/bioconda/ligand-validation :alt: (downloads) .. |docker_ligand-validation| image:: https://quay.io/repository/biocontainers/ligand-validation/status :target: https://quay.io/repository/biocontainers/ligand-validation .. _`ligand-validation/tags`: https://quay.io/repository/biocontainers/ligand-validation?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/ligand-validation/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/ligand-validation/README.html