IU Cheminformatics Web Services find use in Second Life!

Web Services and Second Life combine to make a powerful tool for virtual chemistry! Cheminformatics web services at Indiana University developed through the NIH-funded ChemBioGrid project (http://www.chembiogrid.org) are now being used to drive advanced chemistry in Second Life. Pioneering work by Jean-Claude Bradley at Drexel University and Andy Lang at Oral Roberts University is enabling an increasing amount of chemistry and molecular modeling to be carried out in Second Life. The latest project, Orac, allows three-dimensional molecular conformations to be generated on-the-fly. The molecules that Orac makes can be manipulated in many ways. You can easily change the position, size and orientation; you can save the molecules to your inventory for later retrieval, make multiple copies and even distribute them to other users. Also, with a little scripting, you can make the molecules interact with users and even each other. A key part of Orac is the creation of 3D conformers from 2D structures, and this is done using real-time calls to the smi23d web service at Indiana University. This is one of many computation services available through the ChemBioGrid infrastructure. More information about Orac can be found in a YouTube Video (http://www.youtube.com/watch?v=tOfhuoRbnCg) and in a paper recently submitted to the Chemistry Central Journal (http://usefulchem.wikispaces.com/SLchemPaper). More information on the ongoing research into Cheminformatics Cyberinfrastructures at Indiana University can be found at http://cheminfo.wikispaces.com.

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Posted on July 21, 2009, in Uncategorized. Bookmark the permalink. Leave a comment.

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