> is much nicer than how we did it before, and it seems like it would be > simple to add to CJSON.
I think it's a good idea to add selection to CJSON for a few reasons. One, the concept of "named selections" was in Avo1 but never really used. For example, an enhanced QM (or other) generator could allow you to mark a particular selection as QM/MM or support automatic fragment calculations, etc. Also, the "run" scripts could mark selected atoms in CJSON, e.g., build a carbon nanotube and then allow the user to move it. > I was going to look at adding a selection box next, and deletion of > selected atoms. I also need to add undo/redo support, if anyone is > interested in the half-working version I can share it on my fork of > avogadrolibs, I'd be happy to help with some of this. Thanks, -Geoff ------------------------------------------------------------------------------ _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
