On [2011-Jul-14] Robert Hanson <[email protected]> wrote:
> OK, I got it. In generating models, Jmol was not establishing this
connection:
>
> C4 C6 2_855 1.393(3)
>
[snip]
> I'll take a look at this and get back to you. I'm a bit surprised that
Jmol can't handle it directly, but here's how you do it:
>
> load c:/temp/t.cif {444 666 1}
> x = {*}.find("smarts","[r6]")
> display within(molecule, x) and within(molecule, cell=555)
>
>
> That says, "Show me all the molecules that cross into cell 555 and
contain six-membered rings.
So what is the generic command that'll load a molecule and display all of
those (complete) molecules that have an atom within a unit cell?
Rich
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