Re: [Jmol-users] Mol2 files (again!)

[Bob H. <bob...@gm...>]

Well, let's see.

I can display the molecules one at a time using:

display molecule=1
display molecule=2

etc.

So that takes care of the no-symmetry issue.

But you want to take this file and apply symmetry operators and
multiple unit cells, is that right?

OK, the problem comes down to the fact that in general when you apply
symmetry operators it is quite common to have redundant operators.
BUT, am I correct that this kind of data is "prepacked" - that is,
only the translational operators are necessary? All the rotations and
reflections and such are already represented? No duplicate atom
positions if we just added translations?

Bob