forgive me if I've already sent this. The network connection here is not
totally reliable.
Patrick J. Carroll wrote:
>
>Bob,
> I know how to build a unit cell with Jmol 11.0 using load
>"file.cif" {1 1 1} and how to display just the first molecule, but how do
>I, e.g., select the molecule that's produced by the symmetry
operation X,
>1/2-Y, 1/2+Z so I display the two molecules related by the c-glide plane
>as I did in:
>
> http://macxray.chem.upenn.edu/cells/3159glideFrame.html
>
>?
>
OK, here's what I would do:
Not knowing enough about what x, 1/2-y, 1/2+z really means, I would load
a modified CIF file that only gives that particular operator and see
what it looks like. My guess is that you can just see this yourself,
because you are a crystallographer.
Having identified what molecule we are talking about, I would do
load "file.cif" {1 1 1}
select *; label %N
Now I see the molecule number associated with all the atoms. Say I see
that that is molecule 3. Then I would use:
restrict molecule=3
to display only that molecule.
I haven't come up with a simple way of indicating "the atoms generated
from the original atoms via the symmetry operation X"
Bob
>
>Pat
>
>
>
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