Babel

Molecule file format conversion utility

Description

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

Version

• 2.2.3 on Vuori (vuori.csc.fi)
  
• 2.2.0 on Hippu (hippu.csc.fi)
• 2.1.1 on Murska (murska.csc.fi)

Usage

To initialise babel, Open Babel tools provided by the package and the man pages on Hippu, Murska and Vuori, you need to give

module load openbabel

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

babel -ipdb molecule.pdb -otmol coord

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

Documentation and home page

• Open Babel wiki
• http://openbabel.sourceforge.net/