>From my perspective, the capability for a medicinal chemist to sit down with a protein:ligand complex and "click out" modification ideas onto the current bound ligand (with realtime minimization/regularization/rectification) would make this a killer app in that community. The recent developments with the workbench and smiles strings etc would appear to be placing this within reach!
-Tom On Wed, May 19, 2010 at 3:46 PM, Robert Hanson <[email protected]> wrote: > Jmol users: > > Idea: Capability to turn on a "molecular model kit" feature that would > allow quick construction (modification or extension) of molecular models > within Jmol. > > Questions: > > Q: Is that a good idea or not? Is it time to develop this? > > Q: How hard would this be? > > Q: What features would make it a "killer app"? > > Q: Want to help? > > Bob > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > > > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > >
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