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Open Babel

Open Babel

Description

Open Babel is a program designed to interconvert a number of file formats currently used in molecular modeling.


Available

Version on CSC's Servers

  • Sisu: 2.3.2
  • Taito: 2.4.1


Usage

Usage

The Open Babel environment is set by loading the appropriate module e.g.

module load openbabel/2.4.1

A simple example, converting a PDB file to a Turbomole coord file:

obabel -ipdb molecule.pdb -otmol coord

For a comprehensive list of options and supported file formats, execute 'babel -H',  'babel -L formats' or check the man/web pages.

More information

References

To support Open Babel, please cite J. Cheminf. 2011, 3:33

 


Discipline

Chemistry

References

References

To support Open Babel, please cite J. Cheminf. 2011, 3:33


Support

Nino Runeberg


Manual

More information