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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 (chemdevelkit@appspot.com):

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!