Tutorial on using the GUI

This chapter gives step-by-step descriptions on how to use Open Babel’s graphical user interface (GUI) to carry out some common tasks. It may also be used as the basis of a practical on cheminformatics, and to this end several questions are interspersed with the tutorial text.

For more information on the GUI itself, see the previous chapter.

• Converting chemical file formats
  • File conversion
  • Converting without files
• Filtering structures
• Substructure and similarity searching a large dataset