Bob,
I've been playing with your code suggestions that involve using
the "translateselected" command. The problem I'm having is that it seems
there can't be more than one occurrence of a symmetry operation but with
different translations. E.g., it seems to be impossible to have both a
-x,-y,-z translated 0,0,0 AND a -x,-y,-z translated 1,1,1. Once I have
displayed -x,-y,-z 1,1,1, if I select -x,-y,-z 0,0,0 the atoms that have
already been translated are selected and if I translate them, the molecule
at -x,-y,-z 1,1,1 is gone.
So I went back to playing with "load 9129.cif {444 666 0}". If I
load first with this command and then select -x, -y, -z 0,0,0 the correct
fragment is chosen, except for the Ni atom which is chosen in the x,y,z
0,0,0 fragment (this is the original problem I was having). See
http://macxray.chem.upenn.edu/gam/9129d.html
If I load first with "load 9129.cif {444 555 0}", and select
-x,-y,-z 0,0,0 then the correct fragment is chosen, including the Ni! See
http://macxray.chem.upenn.edu/gam/9129c.html
Can this be "fixed"? Because it looks like the only way to have
multiple occurences of the same symop is to pre-load all possible symops
{444 666 0} and then select. AND again, this all seems to work fine for all
those cases in which no atoms sit directly on a symmetry element.
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