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Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.

Project description

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

v1.0.5 May 2019 Release

Installation

Using PIP:

Using ANACONDA:

Using DOCKER:

  • Installation:

      docker pull mmbirb/biobb_analysis:latest
    
  • Usage:

      docker run mmbirb/biobb_analysis:latest <command>
    

Using SINGULARITY:

  • Installation:

      singularity pull shub://bioexcel/biobb_analysis
    
  • Usage:

      singularity exec bioexcel-biobb_analysis-master-latest.simg <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 (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 675728).

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

Project details


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