recipe biobb_md

Deprecated Package: biobb_md is no longer maintained and has been superseded by the biobb_gromacs package. Biobb_md is the Biobb module collection to perform molecular dynamics simulations.

Homepage:

https://github.com/bioexcel/biobb_md

Documentation:

http://biobb_md.readthedocs.io/en/latest/

License:

APACHE / Apache Software License

Recipe:

/biobb_md/meta.yaml

Deprecated Package: biobb_md is no longer maintained and has been superseded by the biobb_gromacs package. Biobb_md is the Biobb module collection to perform molecular dynamics simulations. Biobb (BioExcel building blocks) packages are Python building blocks that create new layers of compatibility and interoperability over popular bioinformatics tools.

package biobb_md

(downloads) docker_biobb_md

versions:
3.7.2-0,  3.7.1-0,  3.7.0-0,  3.6.0-0,  3.5.1-0,  3.5.0-0,  3.0.1-0,  3.0.0-0,  2.0.0-0, 

3.7.2-0,  3.7.1-0,  3.7.0-0,  3.6.0-0,  3.5.1-0,  3.5.0-0,  3.0.1-0,  3.0.0-0,  2.0.0-0,  1.1.7-0,  1.1.6-0,  0.1.5-0,  0.1.4-0,  0.1.2-0,  0.1.1-0,  0.1.0-0,  0.0.2-0,  0.0.1-0

depends biobb_common:

3.7.0

depends gromacs:

2019.1

depends python:

3.7.*

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_md

and update with::

   mamba update biobb_md

To create a new environment, run:

mamba create --name myenvname biobb_md

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_md:<tag>

(see `biobb_md/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_md/README.html)