OK I see how to do this right now, and I'll see if I can set up a user
flag for bonding the symmetry atoms. Actually, maybe in the case of
mol2 files this should be automatic -- as I recall they are always
packed or, to put it another way, we can't deal with the symmetry
operators anyway, so we just call it "P1*".
It is a nice application of the new "load append" capability.
You can do it with the following:
appendnew = false
load t.mol2
select *;translateselected {1/1 0 0}
load append ""
select *;translateselected {0 1/1 0}
load append ""
...etc...
On 4/23/07, Bob Hanson <[EMAIL PROTECTED]> wrote:
> 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
>
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