:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'reduce' .. highlight: bash reduce ====== .. conda:recipe:: reduce :replaces_section_title: :noindex: Reduce \- tool for adding and correcting hydrogens in PDB files :homepage: https://github.com/rlabduke/reduce :documentation: https://github.com/rlabduke/reduce#readme :license: BSD / BSD-4-Clause-UC :recipe: /`reduce `_/`meta.yaml `_ Reduce is a tool for adding and correcting hydrogens in PDB files. It is often used in computational biology and molecular modeling to prepare protein structures for further analysis or simulations. .. conda:package:: reduce |downloads_reduce| |docker_reduce| :versions: ``4.14-3``,  ``4.14-2``,  ``4.14-1``,  ``4.14-0`` :depends libgcc: ``>=13`` :depends libstdcxx: ``>=13`` :depends python: ``>=3.10,<3.11.0a0`` :depends python_abi: ``3.10.* *_cp310`` :requirements: :additional platforms: .. raw:: html linux-aarch64osx-arm64 .. 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 reduce and update with:: mamba update reduce To create a new environment, run:: mamba create --name myenvname reduce 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/reduce: (see `reduce/tags`_ for valid values for ````) .. |downloads_reduce| image:: https://img.shields.io/conda/dn/bioconda/reduce.svg?style=flat :target: https://anaconda.org/bioconda/reduce :alt: (downloads) .. |docker_reduce| image:: https://quay.io/repository/biocontainers/reduce/status :target: https://quay.io/repository/biocontainers/reduce .. _`reduce/tags`: https://quay.io/repository/biocontainers/reduce?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/reduce/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/reduce/README.html