:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'dligand2' .. highlight: bash dligand2 ======== .. conda:recipe:: dligand2 :replaces_section_title: :noindex: DLIGAND2 is a knowledge\-based method to predict protein\-ligand binding affinity based on a distance\-scaled\, finite\, ideal\-gas reference \(DFIRE\) state. :homepage: https://github.com/sysu-yanglab/DLIGAND2 :license: MIT / MIT :recipe: /`dligand2 `_/`meta.yaml `_ .. conda:package:: dligand2 |downloads_dligand2| |docker_dligand2| :versions: ``0.1.0-4``,  ``0.1.0-3``,  ``0.1.0-2``,  ``0.1.0-1``,  ``0.1.0-0`` :depends libgcc-ng: ``>=12`` :depends libstdcxx-ng: ``>=12`` :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 dligand2 and update with:: mamba update dligand2 To create a new environment, run:: mamba create --name myenvname dligand2 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/dligand2: (see `dligand2/tags`_ for valid values for ````) .. |downloads_dligand2| image:: https://img.shields.io/conda/dn/bioconda/dligand2.svg?style=flat :target: https://anaconda.org/bioconda/dligand2 :alt: (downloads) .. |docker_dligand2| image:: https://quay.io/repository/biocontainers/dligand2/status :target: https://quay.io/repository/biocontainers/dligand2 .. _`dligand2/tags`: https://quay.io/repository/biocontainers/dligand2?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/dligand2/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/dligand2/README.html