-
recipe
biobb_chemistry
Biobb_chemistry is the Biobb module collection to perform chemical conversions.
- Homepage
- License
APACHE / Apache Software License
- Recipe
[](https://biobb-chemistry.readthedocs.io/en/latest/?badge=latest) [](https://anaconda.org/bioconda/biobb_chemistry) [](https://quay.io/repository/biocontainers/biobb_chemistry) [](https://www.singularity-hub.org/collections/2886) [](https://opensource.org/licenses/Apache-2.0)
# biobb_chemistry
### Introduction Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations. 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_chemistry.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) 2015-2020 [Barcelona Supercomputing Center](https://www.bsc.es/) * (c) 2015-2020 [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_chemistry
¶ -
- Versions
3.5.0-0
,3.0.2-0
,3.0.1-0
,3.0.0-0
,2.0.2-0
,2.0.1-0
,2.0.0-0
,1.0.8-0
,1.0.7-0
,3.5.0-0
,3.0.2-0
,3.0.1-0
,3.0.0-0
,2.0.2-0
,2.0.1-0
,2.0.0-0
,1.0.8-0
,1.0.7-0
,1.0.6-0
,1.0.5-0
,1.0.4-0
- Depends
acpype
2019.10.05.12.26
ambertools
20.0
biobb_common
3.5.1
openbabel
2.4.1
python
3.7.*
- Required By
Installation
With an activated Bioconda channel (see 2. Set up channels), install with:
conda install biobb_chemistry
and update with:
conda update biobb_chemistry
or use the docker container:
docker pull quay.io/biocontainers/biobb_chemistry:<tag>
(see biobb_chemistry/tags for valid values for
<tag>
)
Link to this page¶
Render an badge with the following MarkDown:
[](http://bioconda.github.io/recipes/biobb_chemistry/README.html)