Petr wrote: > I found not much info about toolbar buttons, so experimenting with the > toolbar button [arrow] with pop-up [Select atom or region] I assumed that > I will be able to select atoms or sequences of atoms "on screen" with > result similar to issuing <select a> or <select a-b> on the console. > Instead, the function is "only" [Highlights those already selected atoms > or regions]. Perhaps modification of the pop-up text might be appropriate, > believe or not, I spent some time clicking and hitting ctrl, alt etc.and > browsing through doc's to make sure that the "advertised" function is not > there (Or is it?)
I do not know ... it is probably not there. Some/most of the underlying functionality is available via the scripting language, but it is probably not propogated up to the Jmol application UI. > I would vote for something like that to be implemented eventually (i.e. > with that button pressed, whatever is clicked, or - for more > atoms-residues > - shift-clicked or "lassoed" by mouse become selected, highlighted by > yellow "halloo" and subsequent commands act on that selection) Yes, it needs to be done. > In atom expressions, Rasmol had <within( distance, mol_selection)> command > - allowing to select say active site or drug binding region. Is this > available? Yes. In addition to specifying a distance, Jmol also allows one to say within(group, <set-specification>) within(chain, <set-specification>) within(model, <set-specification>) This is particularly useful because it allows one to expand a selection to include all members of the groups. > On similar theme, is there any way to select bonds longer then > user-defined threshold? There is no mechanism to do this. (Note ... one cannot select bonds ... one can only select atoms) > Might be useful for getting rid of non-real bonds calculated > automatically in cases the coordinates allow that. Perhaps. I would rather see people use file formats that specified bonds. Miguel ------------------------------------------------------- The SF.Net email is sponsored by: Beat the post-holiday blues Get a FREE limited edition SourceForge.net t-shirt from ThinkGeek. It's fun and FREE -- well, almost....http://www.thinkgeek.com/sfshirt _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
