Alan Hewat wrote: I am now trying (unrelated) to use
picking to switch on/off bonding/polyhedra for elements
selected by clicking. I am using CIF files where
atoms are generated according to symmetry operations. One
problem is that I want to select all atoms of a particular
kind. I looked at "set picking ATOM" but that selects just one
atom. "set picking GROUP" seems to select all atoms even though
I have defined things like: 'define ~anions (oxygen or nitrogen
or fluorine or sulphur or chlorine or bromine or iodine);'+ I
assumed this would define a "group" called ~anions, but
apparently not. What is a "group" then? "set picking"
refers to what should happen when a user clicks an atom.
What would be great would be to have additional picking commands: "set
picking ELEMENT" (select all atoms of that element) easy.
"set picking SITE" (select all symmetry related atoms for
that particular site) hmm. That might be a challenge. How exactly do
you define "site"?
I would also like to be able to qualify this with "and VISIBLE" since
I have invisible atoms that I want to stay unselected and invisible.
Are you referring to the selection halo that works with "set display
selected"? We should probably talk about how that should display. I see
what you mean -- it pops up regardless of whether the atom is actually
visible.
Bob
Alan. _____________________________________________________________
Dr Alan Hewat, ILL Grenoble, FRANCEfax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
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