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Biobb_pdb_tools is a swiss army knife for manipulating and editing PDB files.

Project description

fair-software.eu

biobb_pdb_tools

Introduction

biobb_pdb_tools is a swiss army knife for manipulating and editing PDB files. The latest documentation of this package can be found in our readthedocs site: latest API documentation.

Version

v5.0.0 2024.2

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.

Using ANACONDA:

Using DOCKER:

  • Installation:

      docker pull quay.io/biocontainers/biobb_pdb_tools:5.0.0--pyhdfd78af_0
    
  • Usage:

      docker run quay.io/biocontainers/biobb_pdb_tools:5.0.0--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_pdb_tools.sif https://depot.galaxyproject.org/singularity/biobb_pdb_tools:5.0.0--pyhdfd78af_0
    
  • Usage:

      singularity exec biobb_pdb_tools.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).

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

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