Package Recipe 'biobb_wf_mutations'

recipe biobb_wf_mutations

Lysozyme plus Mutations workflow built using BioBB Based on the official Gromacs tutorial: http://www.mdtutorials.com/gmx/lysozyme/01_pdb2gmx.html

Homepage:: https://github.com/bioexcel/biobb_md
License:: APACHE / Apache Software License
Recipe:: /biobb_wf_mutations/meta.yaml

[![Documentation Status](https://readthedocs.org/projects/biobb-md/badge/?version=latest)](https://biobb-md.readthedocs.io/en/latest/?badge=latest)

# biobb_wf_mutations

### Introduction Lysozyme + Mutations workflow built using BioBB Based on the official Gromacs tutorial: http://www.mdtutorials.com/gmx/lysozyme/01_pdb2gmx.html 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_md.readthedocs.io/en/latest/).

### Version February 2019 Release

### 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 [675728](http://cordis.europa.eu/projects/675728)).

Licensed under the [Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file [LICENSE](LICENSE) for details.

![](https://bioexcel.eu/wp-content/uploads/2015/12/Bioexcell_logo_1080px_transp.png "Bioexcel")

package biobb_wf_mutations¶

Versions:

0.0.6-0, 0.0.5-0

Depends:

on biobb_adapters >=0.1.4
on biobb_common >=0.1.2
on biobb_io >=0.1.4
on biobb_md >=0.1.5
on biobb_model >=0.1.5
on python >=3

Additional platforms:

Installation¶

You need a conda-compatible package manager (currently either pixi, conda, or micromamba) and the Bioconda channel already activated (see Usage). Below, we show how to install with either pixi or conda (for micromamba and mamba, commands are essentially the same as with conda).

Pixi¶

With pixi installed and the Bioconda channel set up (see Usage), to install globally, run:

pixi global install biobb_wf_mutations

to add into an existing workspace instead, run:

pixi add biobb_wf_mutations

In the latter case, make sure to first add bioconda and conda-forge to the channels considered by the workspace:

pixi workspace channel add conda-forge
pixi workspace channel add bioconda

Conda¶

With conda installed and the Bioconda channel set up (see Usage), to install into an existing and activated environment, run:

conda install biobb_wf_mutations

Alternatively, to install into a new environment, run:

conda create -n envname biobb_wf_mutations

with envname being the name of the desired environment.

Container¶

Alternatively, every Bioconda package is available as a container image for usage with your preferred container runtime. For e.g. docker, run:

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

(see biobb_wf_mutations/tags for valid values for <tag>).

Integrated deployment¶

Finally, note that many scientific workflow management systems directly integrate both conda and container based software deployment. Thus, workflow steps can be often directly annotated to use the package, leading to automatic deployment by the respective workflow management system, thereby improving reproducibility and transparency. Check the documentation of your workflow management system to find out about the integration.

Download stats¶

Link to this page¶

Render an 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_wf_mutations/README.html)