recipe biobb_cmip

Biobb_cmip is the Biobb module collection to compute classical molecular interaction potentials.

Homepage:

https://github.com/bioexcel/biobb_cmip

Documentation:

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

License:

APACHE / Apache Software License

Recipe:

/biobb_cmip/meta.yaml

Biobb_cmip is the Biobb module collection to compute classical molecular interaction potentials. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools.

package biobb_cmip

versions:

5.0.0-0,  4.2.0-0,  4.1.1-0,  4.1.0-0,  4.0.0-0,  3.9.0-0,  3.7.8-0,  3.7.7-0,  3.7.6-1, 

5.0.0-0,  4.2.0-0,  4.1.1-0,  4.1.0-0,  4.0.0-0,  3.9.0-0,  3.7.8-0,  3.7.7-0,  3.7.6-1,  3.7.6-0,  3.7.5-1,  3.7.5-0,  3.7.4-0,  3.7.3-0,  3.7.2-0,  3.6.0-0

depends biobb_common:

5.0.0

depends biobb_structure_checking:

3.13.5

depends cmip:

2.7.0

depends mdanalysis:

>=2.0.0

depends python:

>=3.9

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_cmip

and update with::

   mamba update biobb_cmip

To create a new environment, run:

mamba create --name myenvname biobb_cmip

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_cmip:<tag>

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

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