Ian,
It's not clear to me how you would use that information. The atom site label
is just the name of the atom involved. One would generally just get that
from the structure. If you were trying to get all the bonds and distances,
all you need is
getproperty bondInfo
or a related function such as:
print {*}.bonds.label("%a1 %a2 %LENGTH")
I see
http://www.chester.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Cgeom_bond.html
but I really don't understand what the symmetry or "bond_multiplicity" is
all about. Jmol doesn't do anything with symmetry codes because of the
various normalization options.
Bob
On Thu, Apr 16, 2009 at 9:28 AM, Ian Thomas <[email protected]> wrote:
> Hello,
>
> I'm just wondering if/when Jmol might be able to read the
> '_geom_bond_[]' fields in CIF files? In particular I'm interested in the
> '_geom_bond_atom_site_label_*' fields.
>
> Thanks,
>
> Ian
>
>
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