Tuesday, March 07, 2006

CMLRSS attempt

With some help from Egon Willighagen and Peter Murray-Rust, I have been trying to get CMLRSS to work on our molecules blog RSS feed. I was able to generate CML using OpenBabel and incorporate it in Blogger for molecule 66 but I was unable to test it because there is currently a problem the the CMLRSS readers. Egon is working on getting a reader to work in Bioclipse and will report on his progress in his blog.

Having a working CMLRSS reader is an important step in cheminformatics because it will enable the user to manipulate molecules as molecules, not just static images. For example the subscriber would be able to rotate the molecule, view it using different representation formats, measure bond lengths, etc. directly inside of the reader.

CML (Chemical Markup Language) is a kind of XML that allows for the representation of chemical information.

I interviewed a grad student yesterday who is interested in cheminformatics. He is going to start by trying to use existing web services to automatically process information (molecular weight by Rajarshi Guha for example) in our molecules blog.


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