Hi Bob, On Sat, Jun 19, 2010 at 5:39 PM, Robert Hanson <[email protected]> wrote: >> * it took me a few minutes to realize how to unset the 'delete atom' mode > > Suggestions? My original plan was to have icons with the selections, so that > the top icon would change to reflect what was selected in the subdirectory.
My first intuition was to click the item again... since it was a checkbox, that's what I would have expected... it could default to the 'C' mode again... or whatever the default action for the 'Model Kit' is... >> * it would be nice if the FF energy would be displayed somewhere > > I experimented with that a bit, but because UFF is not reliable in terms of > energy, I thought it unwise to go there. Ah, but then again, you are using it for minimization... anyway, I was using it to compare to possible geometries... and UFF energies were pretty close, which was enough for me... >> * the edit modes are quite hidden now, in the popup menu, so that >> changing drawing mode takes quick a few clicks > > true. Suggestions? Toolbar? >> * changing an atom symbol of an existing atom could benefit from >> keyboard shortcut. I suggest that when an atom is highlighted (red >> circle), clicking 'C' changes to carbon, etc. >> > certainly sounds reasonable. What about Br? Cl? Can't buffer the atoms > because the idea is that it automatically adjusts H atoms. Or shouldn't it > do that? I think Rich Apodaca's 2D editor has the right approach... it keeps a time out, and if "b .. r" is typed within a certain time limit, it is Br... >> But the biggest issue by far was that I could not export the generator >> model in anything but .spt... :) I can easily extract the MDL molfile >> content from that, and realize Bioclipse should really support Jmol >> .spt files :) > > I'm saving MOL files from that third "..." menu. Does that not work for you? Oh, had not seen that :( Well, that's actually another point... it seems pretty remote from the actual GUI (or at least in the application)... I was really expecting a File -> Save As ... Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
