Jing,
ATOMNO is not particularly relevant for CIF files. For sure the atom
numbers will be sequential based on the CIF file atom record order, and,
after that, symmetry will be processed in order of appearance in the
symmetry operator in the CIF file. But if there are atoms at special
positions, then those of course will not be duplicated by redundant
symmetry operators, and if the PACKED keyword is used, then there can be
quite a bit of duplication that is removed along the way. Rather, I suggest
using SYMOP=n where n is 1,2,3,... etc.
Bob Hanson
On Mon, Dec 29, 2014 at 1:32 PM, Jing Xie <sandie.b...@gmail.com> wrote:
> Dear Angel,
>
> Thanks for the reply. I understand atomNo and atomIndex and would like to
> know how jmol index the periodic crystal. For example, there would be 27
> atoms if "load 1000041.cif {1,1,1}". It is easy to understand the indexing
> of atomno 1 and atomno 2. I was wondering how jmol determine which atoms
> should be atomno=3? Which atom goes to the next? Is there an algorithm
> about this indexing rule and the rule regarding to periodic crystal?
>
> Jing
>
>
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