Saturday, February 18, 2006

Blogging chemistry on

You might have read earlier posts in this blog on CMLRSS, and received a question today on how to integrate CMLRSS with blogs on Now, current CMLRSS feeds are normally generated with customized scripts, often directly from a database.

So, here's my attempt to include CML in a blog. OpenBabel 2.0 can create good CML, for example for acetic acid [1]:

Nothing much to see, right? Well, that's good, because it's inserted as CML, not as anything readable, like this equivalent:

<cml:molecule xmlns:cml="">
<cml:atomArray atomID="a1 a2 a3 a4" elementType="C C O O" formalCharge="0 0 0 0"/>
<cml:bondArray atomRef1="a1 a2 a2" atomRef2="a2 a3 a4" order="1 2 1"/>

I am curious how this will come out in the RSS feed. Maybe it is usefull; please read the comments for additional notes.