This is the first ever users' workshop for Open Babel, one of the most widely used cheminformatics toolkits. Open Babble presents a unique opportunity to learn how to make the most of Open Babel, whether you are interested in using for converting file formats, writing scripts to analyse molecular structures, or developing your own chemistry software.
The workshop will start on the afternoon of the 5th July, and finish on the evening of the 6th. The exact topics covered will depend on the attendees’ interests but will include some or all of the following:
- Exploiting the Open Babel command line for fast searching and filtering of molecular databases
- How to get the most from the Open Babel GUI
- Getting started with Python scripting for chemistry
- Compiling C++ programs that use Open Babel
- Writing a new plugin for Open Babel
- How to create a user-defined molecular fingerprint
- Combining Open Babel with other Open Source cheminformatics toolkits
To apply, see the workshop website.