biobb-analysis 4.2.0

Description:

biobbanalysis 4.2.0

biobb_analysis
Introduction
Biobb_analysis is the Biobb module collection to perform analysis of 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.
Version
v4.2.0 2024.1
Installation
Using PIP:

Important: PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA, DOCKER or SINGULARITY.



Installation:
pip install "biobb_analysis>=4.2.0"



Usage: Python API documentation


Using ANACONDA:


Installation:
conda install -c bioconda "biobb_analysis>=4.2.0"



Usage: With conda installation BioBBs can be used with the Python API documentation and the Command Line documentation


Using DOCKER:


Installation:
docker pull quay.io/biocontainers/biobb_analysis:4.2.0--pyhdfd78af_0



Usage:
docker run quay.io/biocontainers/biobb_analysis:4.2.0--pyhdfd78af_0 <command>



Using SINGULARITY:
MacOS users: it's strongly recommended to avoid Singularity and use Docker as containerization system.


Installation:
singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.2.0--pyhdfd78af_0



Usage:
singularity exec biobb_analysis.sif <command>



The command list and specification can be found at the Command Line documentation.
Copyright & Licensing
This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU H2020 823830, EU H2020 675728).

(c) 2015-2024 Barcelona Supercomputing Center
(c) 2015-2024 Institute for Research in Biomedicine

Licensed under the
Apache License 2.0, see the file LICENSE for details.