I am trying to see crystal contacts within 7 Angstroms of the
asymmetric unit which is the atom set "not symmetry".
After e.g.
load =1pgb
I can generate the 27 unit cells
load "" {444 666 1}
I can filter e.g.
load "" filter "within(7.0, [met1].ca"
and I can do symmetry and filter using a non-symmetry term e.g.
load "" {444 666 1} filter "*.ca"
and I can restrict to the crystal contacts
load "" {444 666 1}
restrict within(7.0, not symmetry)
but I am having NO SUCCESS filtering to load only the symmetry atoms
within 7 Angstroms
load "" {444 666 1} filter "within(7.0, not symmetry)"
What am I doing wrong???
I assume that doing the symmetry and filter in a single operation
will make Jmol more efficient, vs. first doing symmetry, and then
simply restricting to the crystal contacts.
I thought perhaps I could delete the unwanted atoms to free
resources, but when I do this
load "" {444 666 1}
delete not within(7.0, not symmetry)
the memory use report at the lower right of the Jmol application
(12.2.25) jumps from 35 Mb to over 1000 Mb. Subsequent operations do
not work and peg the CPU, e.g.
center all
Thanks, Eric
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