recipe biobb_amber

Biobb_amber is a BioBB category for AMBER MD package.

Homepage:

https://github.com/bioexcel/biobb_amber

License:

APACHE / Apache Software License

Recipe:

/biobb_amber/meta.yaml

Biobb_amber is a BioBB category for AMBER MD package. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools. The latest documentation of this package can be found in our readthedocs site: http://biobb_amber.readthedocs.io/en/latest/)](http://biobb_amber.readthedocs.io/en/latest/

package biobb_amber

(downloads) docker_biobb_amber

versions:
5.0.3-0,  5.0.2-0,  5.0.0-0,  4.2.0-0,  4.1.0-0,  4.0.1-0,  4.0.0-0,  3.9.0-0,  3.8.0-1, 

5.0.3-0,  5.0.2-0,  5.0.0-0,  4.2.0-0,  4.1.0-0,  4.0.1-0,  4.0.0-0,  3.9.0-0,  3.8.0-1,  3.8.0-0,  3.7.1-1,  3.7.1-0,  3.6.2-0,  3.6.1-0,  3.6.0-1,  3.6.0-0,  3.5.0-0

depends ambertools:

22.5.0

depends biobb_common:

5.0.0

depends python:

>=3.9,<3.11

requirements:

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see 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 biobb_amber

and update with::

   mamba update biobb_amber

To create a new environment, run:

mamba create --name myenvname biobb_amber

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/biobb_amber:<tag>

(see `biobb_amber/tags`_ for valid values for ``<tag>``)

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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/biobb_amber/README.html)