biobb_mddb is a BioBB category for MDDB package. Biobb_mddb is a set of tools to work with MD simulations for and from MDDB sources. 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.
v5.2.1 2025.2
Using PIP:
Important: PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA or DOCKER.
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Installation:
pip install "biobb_mddb>=5.2.1" -
Usage: Python API documentation
Using ANACONDA:
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Installation:
conda install -c bioconda "biobb_mddb>=5.2.1" -
Usage: With conda installation BioBBs can be used with the Python API documentation and the Command Line documentation
Using DOCKER:
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Installation:
docker pull quay.io/biocontainers/biobb_mddb:5.2.1--py312hc5e4ab4_0 -
Usage:
docker run quay.io/biocontainers/biobb_mddb:5.2.1--py312hc5e4ab4_0
Using SINGULARITY:
MacOS users: it's strongly recommended to avoid Singularity and use Docker as containerization system.
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Installation:
singularity pull --name biobb_mddb.sif https://depot.galaxyproject.org/singularity/biobb_mddb:5.2.1--py312hc5e4ab4_0 -
Usage:
singularity exec biobb_mddb.sif <command>
The command list and specification can be found at the Command Line documentation.
This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU Horizon Europe 101093290, EU H2020 823830, EU H2020 675728).
- (c) 2015-2026 Barcelona Supercomputing Center
- (c) 2015-2026 Institute for Research in Biomedicine
Licensed under the Apache License 2.0, see the file LICENSE for details.
