:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'coot-headless' .. highlight: bash coot-headless ============= .. conda:recipe:: coot-headless :replaces_section_title: :noindex: Coot Headless API \- Software for macromolecular model building. :homepage: https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot :documentation: https://www.mrc-lmb.cam.ac.uk/lucrezia/libcootapi-documentation/index.html :developer docs: https://github.com/pemsley/coot :license: GPL3 / GPL-3.0-or-later AND LGPL-3.0-or-later :recipe: /`coot-headless `_/`meta.yaml `_ :links: doi: :doi:`10.1107/S0907444910007493` Coot is a macromolecular model building\, model completion and validation application. This package provides the headless APIs \(Chapi python bindings and libcootapi C\+\+ library\) without GUI dependencies\, suitable for automated workflows. .. conda:package:: coot-headless |downloads_coot-headless| |docker_coot-headless| :versions: ``1.1.17-2``,  ``1.1.17-1``,  ``1.1.17-0`` :depends cairo: ``>=1.18.4,<2.0a0`` :depends clipper: ``>=2.1.20180802,<3.0a0`` :depends curl: :depends elfutils: ``>=0.191,<0.192.0a0`` :depends fontconfig: ``>=2.15.0,<3.0a0`` :depends fonts-conda-ecosystem: :depends gemmi: ``>=0.7.3,<1.0a0`` :depends gsl: ``>=2.7,<2.8.0a0`` :depends libboost: ``>=1.86.0,<1.87.0a0`` :depends libboost-python: ``>=1.86.0,<1.87.0a0`` :depends libccp4: ``>=8.0.0,<9.0a0`` :depends libffi: ``>=3.4.6,<3.5.0a0`` :depends libfreetype: ``>=2.13.3`` :depends libfreetype6: ``>=2.13.3`` :depends libgcc: ``>=13`` :depends libopenblas: :depends libpng: ``>=1.6.50,<1.7.0a0`` :depends librdkit-dev: ``>=2024.9.5,<2025.0a0`` :depends libsqlite: ``>=3.50.2,<4.0a0`` :depends libstdcxx: ``>=13`` :depends libxml2: ``>=2.13.8,<2.14.0a0`` :depends libzlib: ``>=1.3.1,<2.0a0`` :depends mmdb2: ``>=2.0.22,<3.0a0`` :depends numpy: ``>=1.26.4,<2.0a0`` :depends pixman: ``>=0.46.2,<1.0a0`` :depends python: ``>=3.10,<3.11.0a0`` :depends python_abi: ``3.10.* *_cp310`` :depends rdkit: ``>=2024.9.5,<2025.0a0`` :depends ssm: ``>=1.4,<2.0a0`` :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 coot-headless and update with:: mamba update coot-headless To create a new environment, run:: mamba create --name myenvname coot-headless 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/coot-headless: (see `coot-headless/tags`_ for valid values for ````) .. |downloads_coot-headless| image:: https://img.shields.io/conda/dn/bioconda/coot-headless.svg?style=flat :target: https://anaconda.org/bioconda/coot-headless :alt: (downloads) .. |docker_coot-headless| image:: https://quay.io/repository/biocontainers/coot-headless/status :target: https://quay.io/repository/biocontainers/coot-headless .. _`coot-headless/tags`: https://quay.io/repository/biocontainers/coot-headless?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/coot-headless/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/coot-headless/README.html