He wants his duplicates and to eat them, too! I don't know....
Delete atoms. Why don't we do this? Well, there are a lot of data
structures that depend critically on atom index. To do this properly we
have to delete the atoms and somehow also clean up the arrays --
otherwise it's just a waste of time. I think I've been reticent to go in
and track down all the atom references in order to delete them. I
suppose if it were a whole model being removed it might not be so bad. I
can see the command would be
zap 2.1
or something of that order.
But I hate to think how hard it would be to get this right. I suppose
I'll look at it....
Say, I like that virus!
Bob
Mauricio Carrillo Tripp wrote:
> BEAUTIFUL!!
> you're the man & Jmol ROCKS
>
> BTW, I was also wondering the same as Lin Yi asked this morning,
> it's a shame it can not be done. Now that I have my duplicates, I would
> like to have a way to remove them, not just hide them...
> Just out of curiosity, can we expect this (unload/delete an specific
> model)
> on a future release of Jmol?
>
> Thanks again!
>
> Mauricio, you are just missing the keyword MOLECULAR on that
> rotateSelected command. Without that, Jmol is using the window
> coordinates, not the molecular coordinates. Sorry if that's not clear
> from the documentation.
>
> Bob
>
> Mauricio Carrillo Tripp wrote:
>
> >
> > sorry Bob, I just tried both 11.5.14 and 11.4.RC10
> > and still get the same odd behavior.
> > Could it be something else in the script?
> > thanks again for your help...
> >
> >
> > this is fixed for 11.5.14 and 11.4.RC10.
> >
> > Mauricio Carrillo Tripp wrote:
> >
> > > I'm having
> > > trouble when rotating them. I'm using the rotateSelected
> > > command with the AXISANGLE option, and although
> > > the duplicate is the only one that rotates, it does so
> > > around what it seems to be a different axis than the
> > > one that is defined. I tried setting the center to the origin
> > > but that didn't help. I know the rotation axis is correct
> > > (I'm drawing it). Most likely I'm missing something, but
> > > I don't know what else to try.
> > >
> > > Here's what I'm doing:
> > >
> > > select :A.Ca/2.1;
> > > x = data("selected","pdb");
> > > DATA "append @x";
> > > frame all;display 1.1,2.1,3.1;refresh;
> > > centerAt ABSOLUTE {0.0,0.0,0.0};
> > > select */3.1;
> > > draw five_fold_01 ARROW 110 DIAMETER 1 {0.0,0.0,0.0}
> > {0.0,70.0,113.4};
> > > rotateSelected AXISANGLE {0.0,70.0,113.4} 72.0;
> > > trace 0.5;
> > >
> > > To see it in action:
> > >
> >
> http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1>
> >
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1>>
> > >
> >
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1>
> >
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1
> <http://viperdb.scripps.edu/info_page_big_jmol.php?VDB=1dnv&tnumber=1>>>
> > >
> > > after the model loads, clicking on the "exp" checkbox will
> > > run the script above. If you zoom out and rotate with the
> mouse,
> > > you'll see what I mean; the original model in blue, the
> duplicate
> > > in gray and the axis in orange. The duplicate should be
> rotating
> > > 72 degrees around the defined axis (right?), but instead
> it seems
> > > to be doing it "in place".
> > >
> > > Thanks for your help.
>
>
> --
> 0 | Mauricio Carrillo Tripp, PhD
> / | Department of Molecular Biology, TPC6
> 0 | The Scripps Research Institute
> \ | 10550 North Torrey Pines Road
> 0 | La Jolla, California 92037
> / | [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
> 0 | http://www.scripps.edu/~trippm <http://www.scripps.edu/%7Etrippm>
>
> ** Aut tace aut loquere meliora silentio **
>
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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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