Thomas Stout wrote:
>
> Has anyone ever made selections using more than one variable
> simultaneously? I'm referring to something like:
>
>
> select {((resno=xres) and :{x[i]} )}; // this is meant to make a
> selection based on separate algorithmic
> //
> identifications of desired residue number and chain....
>
The ":" designation for a chain is very specific. It needs a chain
descriptor. Right now there is no way to test for chain descriptors (one
could imagine, perhaps, "and chain='A'" for example, but that is not
available.
However, there is a simple way to do ANY complex selection. Simply
create the full select command as a string and then execute it using
script inline. So:
var x = "select resno=xres and :" + x[i]
script inline @x
Also, I don't think that @{x[i]} notation will work. There are a couple
of ways you could do this, though. I would recommend:
select {((resno=xres) and {x[i]} )};
> I've tried several different implementations of this:
>
> //within for loop
> ChX = x[i];
> select {(resno=xres) and :[EMAIL PROTECTED];
>
> and
>
> //within for loop
> selection_expression = "*:"+x[i];
> select {(resno=xres) and [EMAIL PROTECTED];
>
> I've actually lost track of all of the different permutations I've
> tried, but everything seems to result in a null selection, with no
> error. Most recently now, too, the Jmol graphics have been freezing
> as a result of issuing this, so I'm wondering if it is even possible?
>
> Thanks for any suggestions,
> Tom
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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