Re: [Jmol-users] expression for multiple cells?

[Robert H. <ha...@st...>]

You mean, like a shell of cells? So that's how many cells? 26, I think. One
way would be to identify their nnn numbers. You could

load {333 777 1}

That's the same 5x5x5 set if cells with the center cell 555. Then it's going
to be something like

select cell=444 or cell=445 or cell=446 or cell=546 or cell=...

etc.


Or, you could use xyz fractional coordinates:

select fx <= 4.01 and fx >= 0.99 and fy <= 4.01 and fy >= 0.99

etc.

Bob

On Mon, Mar 8, 2010 at 4:11 PM, Phillip Barak <pw...@wi...> wrote:

> This could be dead easy...
>
> Let's say I:
>   load xxx.cif {5 5 5}
> and now want to select the 3x3x3 cells btwn {2 2 2} and {4 4 4}
>
> is there a clean way of doing so?
>
> --Phil
>
>
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
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If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900