While attempting to deal with some issues associated with JSDraw, I ran across a review article by Peter Ertl, "Molecular Structure Input on the Web:"
http://www.jcheminf.com/content/2/1/1 The article points to a number of applications, but a point of interest is that he is working on an open source JavaScript version of the JME applet called JME2: http://peter-ertl.com/jme2/ Of more immediate interest to me was his reference to the PubChem Sketcher. At the risk of once again pointing something out that is already common knowledge, this is a really nice Web based input tool. It's a full featured drawing application that exports numerous formats, including JME files. The SMILES that it generates are not unique, but that's not as important now as it was a few months ago. It's a server side tool, but response is very fast. The exported jme files can easily be put into a Jmol page that has an appropriate input field: http://pubchem.ncbi.nlm.nih.gov/edit2/index.html Interesting Jmol related quote in this December article: "It is also gratifying to see the advent of open source movement in cheminformatics on the Internet, as advocated for example by the Blue Obelisk Group [40] and witnessed by collaborative projects like Chemistry Development Kit CDK [41], Jmol [42], Bioclipse [43] and several others. In this respect, cheminformatics seems to be closing the gap on the traditionally more open source world of bioinformatics. The future of cheminformatics, and particularly of cheminformatics applications on the web, is indeed exciting." Otis -- Otis Rothenberger chemagic.com ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
