On 03/08/10, Robert Hanson <[email protected]> wrote:
I like the idea of using fractional coordinates instead of calling out all the individual cells. However, am I missing some punctuation? Using the Jmol (11.9.32_dev) console, afterOr, you could use xyz fractional coordinates:
select fx <= 4.01 and fx >= 0.99 and fy <= 4.01 and fy >= 0.99
load xxx.cif {5 5 5}
select fx > 0.99
the console comes back with:
script ERROR: bad argument count
----
select >> { << fx } >= 0.99
etc.
BobOn Mon, Mar 8, 2010 at 4:11 PM, Phillip Barak <[email protected] <[email protected]>> 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
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-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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