Friday, June 30, 2006

RSS Feeds from Excel VBA

RSS 1.0 feeds are now available for UsefulChem Molecules ( and malaria37 ( To view these feeds, you can use an on-line reader such as Bloglines, or a desktop aggregator such as RSS Bandit. A typical entry for these feeds is:


InChI: InChI=1/C4H11NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,1-2,5H2
Canonical MW: 121.135056
Natural MW: 121.13649


Note that clicking on the image loads an HTML page with the molecule displayed in the Jmol
applet. The development of these feeds is part of the on-going work with Microsoft Excel to process cheminformatic data with Visual Basic for Applications (VBA), in combination with Open Source software such as Babel, the Chemistry Development Kit (CDK) , and Jmol. The current versions of this software can be downloaded from here and here. To use this software, you must download and install the Chemistry Development Kit (the installation directory should be C:\cdk; if you select a different directory, you must modify the .ini files appropriately).


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