recipe biobb_gromacs

biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations using the GROMACS MD suite.

Homepage:

https://github.com/bioexcel/biobb_gromacs

Documentation:

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

License:

APACHE / Apache Software License

Recipe:

/biobb_gromacs/meta.yaml

# biobb_gromacs

### Introduction Biobb_gromacs is the Biobb module collection to perform molecular dynamics simulationsusing the GROMACS MD suite. 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: [latest API documentation](http://biobb-gromacs.readthedocs.io/en/latest/).

### Copyright & Licensing This software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).

* (c) 2015-2023 [Barcelona Supercomputing Center](https://www.bsc.es/) * (c) 2015-2022 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/) Licensed under the [Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.


package biobb_gromacs

Versions:

4.0.0-1,  4.0.0-0,  3.9.0-0,  3.8.1-0,  3.8.0-0

Depends:

• biobb_common 4.0.0

• gromacs 2022.2

• python >=3.7,<=3.10

Required By:

Installation

With an activated Bioconda channel (see set-up-channels), install with:

conda install biobb_gromacs

and update with:

conda update biobb_gromacs

or use the docker container:

docker pull quay.io/biocontainers/biobb_gromacs:<tag>

(see biobb_gromacs/tags for valid values for <tag>)

Download stats

Link to this page

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