Wednesday, September 02, 2009

Google Wave robot for CDK functionality

I was really happy to hear early last week that I was invited to take part in the Google Wave beta, and received my account details this Monday, while at attending (and speaking at) the GDCh Wissenschaftsforum Chemie 2009. Yesterday was a travel day, and while working on course material for the Pharmaceutical Bioinformatics course that uses Bioclipse, I set up an Eclipse environment for development of a wave robot. Documentation was very clear, and deployment on Appspot one click on the appropriate button. Great work from the people from Google! It was all so easy, I could not resist pushing things a bit further, and looked carefully at other robots, like ChemSpidey by Cameron and Igor by Euan, to see how text replacement is done, and wrote my first functional robot, CDKitty (

It seems that it is a policy that wave robot names end with -y, so CDKitty sounded somewhat appropriate. Anyways, the robot is not overly functional yet, but it has a profile (which took some extra googling) and one function mwOf. Add the robot to your wave and prefix a molecular formula with mwOf:, and CDKitty will calculate the molecular formula on the fly. Clearly, this opens up a whole new application world for the CDK, and you can leave feature requests at the issue tracker of the project home at GitHub. Patches are most welcome too! :)

BTW, it seems I messed up the regular expression, which seems not to be including the last digit (filed as issue 1).

Almost forgot to add that: many thanx to Cameron for the insightful discussions we had over applecider, Weisse and German dinner on Monday evening!