Eric,
first can be shortened now to this, by the way:
select GROUP within(4.0, ligand)
(You could also use within VDW or some distance beyond VDW if you wanted,
but maybe 4.0 is what you want....)
So then you mean you want those same groups in all models, right?
How about:
select GROUP within(4.0, atomno=100)
show selected
select selected and *.ca
y = script("show selected").split(".")
z = y.join("\n").split("\n")
q = z.find("\\[").join("|")
print q
select @q
So what I'm doing there is to use SHOW SELECTED to get the list and then
build that into a select phrase
Bob
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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