> 1) automatic conversion 2D to 3D > 2) minimal molecular mechanics support
That's courageous, Bob! That feature would be a dream for me. For that, I am using ChemSketch, which is a Windows-only program. I don't think you can get any code out of it, as it is a commercial venture (but they offer the freeware version which I use). > d) What people know about code that is already out there in any language > that we could adopt. Avogadro includes a molecule builder and "cheap" 3D optimization (which can run on-the-fly as you draw the model by dragging new atoms): http://avogadro.openmolecules.net/wiki/Main_Page Donald and Marcus, two of the main developers, were present at the Runcorn meeting last week. That could be a good source of code. > e) Who wants to help. Sorry, I can't do any Java coding. But do count on me for testing ------------------------------------------------------------------------- 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
