Thursday, April 17, 2008

WebProp usage

A few months ago, I had co-developed a web interface (and its backend) for performing ab inito one electron calculations on small to medium sized molecules. This is currently hosted at and is also available through MeTA Studio widget found at:

We have even published a report describing the functionality of this tool in J. Comput. Chem. (click for abstract).

After months of monitoring the service, I find that the usage of this tool outside our group is pretty low, which is a bit disappointing. Though a niche area (ab inito quantum chemistry, to be specific), I would like to encourage educators, researchers or all the people to try out this unique tool for their needs.

If you have any queries on how WebProp will be useful (for educating, research etc.) kindly mail us at: webprop -at-

The above address is a mailing list, and the mail is forwarded to all people of WebProp development team, who would be more than happy to address your queries on using WebProp and its interface. We also welcome, your suggestions and critiques on WebProp.

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