Tuesday, 4 December 2012

Intro to Open Babel

Recently I was asked (for the first time!) to provide introductory training for Open Babel. Here are the slides I put together:
If you're interested in this, you should follow up with the hands-on tutorial in the docs which I've mentioned previously. For further cheminformatics teaching material, see this post.


Igor said...

Slide 30 - OpenBabel does not have Maximum Common Substructure?! :(

baoilleach said...

Your donated MCS code is not in the library, so it's not possible for 'obabel' to align structures based on the MCS.

Chris said...

Excellent work.