Not exactly Bob. What I want is a list of the lengths of the 4 Si-O bonds that
you have drawn in your example:
http://www.stolaf.edu/academics/chemapps/jmol/docs/examples-11/new0.htm In this
case the 4 oxygen atoms are all within the first unit cell, but in general,
some of the bonded oxygen atoms may be in neighbouring cells - this is the case
for the other symmetry related Si atoms in your example. I would like to be
sure to get all of the bonded atoms, whether in the first unit cell or not.
Alan.
BTW, there is something wrong with the syntax "unitcell=555" below:
At 06:32 10/04/2007, [EMAIL PROTECTED] wrote:
>I'm not sure I know enough about crystallography to know exactly what
>you are talking about, but I think you mean
>
>bondmodeOR = true
>
>theBonds = {_Si and not symmetry}.bonds.label("%2a1%-3i1 %2a2%-3i2
>%6.3LENGTH")
>
>#This would give all the silicon atoms that are not products of symmetry
>
>theBonds = {_Si and unitcell=555}.bonds.label("%2a1%-3i1 %2a2%-3i2
>%6.3LENGTH")
>
>#This would give all Si in the first unit cell
>
>theBonds = {_Si and symop=1}.bonds.label("%2a1%-3i1 %2a2%-3i2 %6.3LENGTH")
>
>#This would give all Si in the first symmetry site, but any displayed
>unit cell.
_____________________________________________________________
Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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