Bob: Are you talking about making a 2-D model builder, or taking something like smiles strings and converting them to 3-D structures?
Phil On Mar 17, 2008, at 8:54 AM, Bob Hanson wrote: > Jmol users, > > I'm ready to tackle two big Jmol feature requests: > > 1) automatic conversion 2D to 3D > 2) minimal molecular mechanics support > > Personally, I don't see these as pushing Jmol in the wrong direction. > (2) is necessary for (1), and (1) is a visualization issue. You may > disagree. Feel free to chime in. > > My goal would be to add one or two additional optional packages. They > would be part of the application but would not load into the applet > unless used there. We know how to do that now, and it appears to be > quite successful. > > I'm interested in > > a) What people think about this idea. > b) What people think about the magnitude of the problem. > c) Reasonable limitations we might implement. > d) What people know about code that is already out there in any > language > that we could adopt. > e) Who wants to help. > > > Bob Hanson > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > Northfield, MN > http://www.stolaf.edu/people/hansonr > > > 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 > > > > ------------------------------------------------------------------------- > This SF.net email is sponsored by: Microsoft > Defy all challenges. Microsoft(R) Visual Studio 2008. > http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users J. Philip Bays Department of Chemistry and Physics Saint Mary's College Notre Dame IN 46556 [EMAIL PROTECTED] ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
