Miguel wrote:
Miguel wrote:
I think that we should avoid deleting models/atoms if at all possible.
this is my opinion.
So, is it the case that you are thinking that you would set some "crystal"
variable and then load the file?
see my implementation -- better: right on the load line.
load "myfile.cif" {1,2,3}
means "display 1 unit cell along the x axis, 2 along y, and 3 along z"
-- 1*2*3 = 6 cells in all. Works nicely. No special commands.
Note the additional:
select symmetry
#select all atoms generated by symmetry operators
select not symmetry
#select only the original (file-based) atoms
Raises another question ...
Q: Is it the case that the unit cell always contains a single molecule? Or
can the unit cell be made up of more than one molecule?
see that prototype site. Some have four molecules in them, plus some
pieces.
Still working on what to do about those pieces....
http://www.stolaf.edu/people/hansonr/jmol/test/proto/sym.htm
Bob
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