You can also do this:
select .....
x = data("selected", "pdb")
DATA "append @x"
The data() function creates a variable X with the model in the form of
PDB data (ATOM and HETATM records). The DATA command then takes this set
of atom data and appends it to the model.
The new atoms will be in a new model by default, or not if you use
set appendNew false
Then you have cloned just those atoms, and you can then select them and
do anything you want with them.
Bob
Mauricio Carrillo Tripp wrote:
> > 1) duplicate a selection an arbitrarily number of times based on
> > different transformations (= rotation matrix + translation vector)
> >
> Yes, you would load the data twice:
>
> load files "file1.xyz" "file1.xyz"
>
> This gets you the duplicates. One is in frame 1, the other in frame 2.
>
>
> this means that if I just want to duplicate a small region of the model
> (one chain, or even just one residue or atom) I would have to load the
> whole
> model again? I can see this could work, but when I have big proteins,
> or a significant number of duplicates (~60+), this is not a very practical
> approach.
>
> It would be a nice feature to have something like:
> duplicate (my_selection) {my_rotation_mtx} {my_trans_vec}
> (with_respect_to) (where_to_put_it);
>
> The optional fourth parameter could say if the transformation is
> with respect to the model's origin or any other specified center.
> The fifth optional parameter could say where to put the
> duplicate; 1.2,1.3,1.4,etc or 2.1,3.1,4.1,etc, or maybe just do it
> automatically incrementing those numbers...
>
> BTW, thanks Bob and Frieda, " zap;set echo top left;echo
> Loading....;refresh;load xxxx.pdb"
> did the trick!
>
>
>
>
> > 2) show and hide these duplicates. I know one can use "display/hide
> > 'selection'", but how would this work with the duplicates?
>
>
> If you now use
>
> frame 0.0
>
> You will both. Select them as individual models (*/1.1) (*2.1) and
> translateSelected, rotateSelected, invertSelected, etc. Then show/hide
> them as desired.
>
> Some experimentation may be necessary.
>
>
>
> --
> 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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