From: <jen...@st...> - 2010-12-22 11:00:27
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>> On a second note, has there been thought to provide a database of >> ground state molecules, with IR and NMR spectra for the smaller >> entities? This would be valuable for the average user, who doesn't >> have access to computational software and/or doesn't know how to use >> computational software. >> >> So, my questions for everyone: >> * is a molecular database a good idea? >> * is it something that can be hosted on Avogadro.net? >> * how should it be done? what format should be adopted? > >I believe this is within the scope of the Quixote project: >http://quixote.wikispot.org/Front_Page It is, and Avogadro is fingered as the code that we intend to do most of our prototyping of querying/accessing the database with, so with any luck, it shouldn't be too long before there is something people can try. Best wishes, Jens -- Scanned by iCritical. |