As a select is processed, there is one long string of bits, one bit
for each atom in the *collection* -- meaning all the models. This
string is purposefully not separated per model, and all operations
and/or/not are carried out on all models at once. This is very
efficient, of course.
So, for example, when you say "atomno=3", if there are 25 models, 25
atoms will be selected. And then, after that, when you say,
"within(3.0, atomno=3)", then that original set is expanded based
proximity. That proximity calculation COULD be checking only pairs of
atoms in the same model, but it isn't. Personally, I think it should
at least be an option. All the other "within" options (group, chain,
model, molecule, etc.) all work only within the same model because
those constructs are within a model.
The more I think about it, the more I think the default should be "and
within the same model." The current situation is just too weird.
Bob
It would take some significant work to change this model -- even as an
option -- but I suppose it could be done.
This is one of the primary reasons I introduced the "visible"
selection option -- because generally one wants to operate on the
atoms that are visible.
[EMAIL PROTECTED] wrote:
On Tue, May 9, 2006 4:17 pm, Bob Hanson said:
right, that's my point. It seems unnatural to me as well. That's why I
was surprised and initially thought it was a bug. Personally I can't
imagine it, either, unless....
Wouldn't it be more natural to have a model specifier? Do "x" to model
"n", or to all models, etc. Why do what might be complicated
selections/calculations to more atom sets (models) that necessary? Or am I
just not understanding what people use multi-model files for? (that's
entirely possible, since I haven't had a use for one).
Rich
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--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
-------------------------------------------------------
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