I'll try to give an (incomplete) answer.
[snip]
> site C4 num_posns 4 x 0.19000 y 0.88300 z 0.48260 occ
> C 1 beq 1
[snip]
> '--------------------------------------------
> Point_for_site(C1@ 0, @ 0, @ 0)
> Rotate_about_axies (@ 1, @ 2, @ 3)
> Translate (@ 0.19000, @ 0.88300, @ 0.48260)
> '--------------------------------------------
>
> The Question:
> ---------------
> I can understand the values for the Point_for_site and
> Translate. But, I am not sure how I can derive the
> values for the Rotate_about_axies for the molecule
> (without doing the structure solution again using
> TOPAS)!? It would be very helpful if someone can help
> me out the way to find these values.
The above means that you are centering on C4. I do not know what
Point_for_site means. It looks like the definition of your center of
rotation, which is a contradiction.
As for the Rotate_about_axies, I do not know if this defines the order of
rotation about the 3 axis, or the rotation angles. In either case you need to
know what convention(s) is used, which only someone from topaze can answer
(if it is not in the manual).
It really is a Topaze question, not a general z-matrix question.
Vincent
--
Vincent Favre-Nicolin
Universit� Joseph Fourier
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
