:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'pdbx' .. highlight: bash pdbx ==== .. conda:recipe:: pdbx :replaces_section_title: :noindex: pdbx is a parser module in python for structures of the protein data bank in the mmcif format :homepage: https://github.com/soedinglab/pdbx :documentation: https://github.com/soedinglab/pdbx#readme :license: GPL3 / GPL-3.0-or-later :recipe: /`pdbx `_/`meta.yaml `_ Proper recognition to the \[Protein Data Bank\]\(http\:\/\/mmcif.wwpdb.org\/docs\/sw\-examples\/python\/html\/index.html\) where this library for protein structures in the mmCIF format initially came from. We modified the original library to support python3. This fork is used by scripts in the HHsuite \[on GitHub\]\(https\:\/\/github.com\/soedinglab\/hh\-suite\). .. conda:package:: pdbx |downloads_pdbx| |docker_pdbx| :versions: ``1.0.0-1``,  ``1.0.0-0`` :depends libgcc-ng: ``>=12`` :depends libstdcxx-ng: ``>=12`` :depends python: ``>=3.11,<3.12.0a0`` :depends python_abi: ``3.11.* *_cp311`` :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 pdbx and update with:: mamba update pdbx To create a new environment, run:: mamba create --name myenvname pdbx 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/pdbx: (see `pdbx/tags`_ for valid values for ````) .. |downloads_pdbx| image:: https://img.shields.io/conda/dn/bioconda/pdbx.svg?style=flat :target: https://anaconda.org/bioconda/pdbx :alt: (downloads) .. |docker_pdbx| image:: https://quay.io/repository/biocontainers/pdbx/status :target: https://quay.io/repository/biocontainers/pdbx .. _`pdbx/tags`: https://quay.io/repository/biocontainers/pdbx?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/pdbx/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/pdbx/README.html