- recipe biobb_flexserv
Biobb_flexserv is the Biobb module collection for biomolecular flexibility studies on protein 3D structures.
APACHE / Apache Software License
biobb_flexserv allows the generation of protein conformational ensembles from 3D structures and the analysis of its molecular flexibility. It is based on the work included in the FlexServ server (https://mmb.irbbarcelona.org/FlexServ/, Camps et. al., FlexServ: an integrated tool for the analysis of protein flexibility, Bioinformatics, Volume 25, Issue 13, 1 July 2009, Pages 1709–1710, https://doi.org/10.1093/bioinformatics/btp304). Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular
The latest documentation of this package can be found in our readthedocs site: http://biobb_vs.readthedocs.io/en/latest/).
- package biobb_flexserv¶
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_flexserv and update with:: mamba update biobb_flexserv
To create a new environment, run:
mamba create --name myenvname biobb_flexserv
myenvnamebeing 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_flexserv:<tag> (see `biobb_flexserv/tags`_ for valid values for ``<tag>``)