[Chimera-users] shape sphere
meng at cgl.ucsf.edu
Sun Apr 21 09:34:34 PDT 2019
Shape sphere does not help with the task you describe. Instead just use a zone specification. If the atom you want to use as the center is selected, for example to delete all atoms farther away from it than 25 angstroms:
delete sel za>25
There is no “undo” for this except reopening the structure, so make sure you have a saved copy before deleting.
I hope this helps,
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Apr 20, 2019, at 7:55 AM, Francesco Pietra <chiendarret at gmail.com> wrote:
> I have read the manual about shape sphere. What I would like to do is retaining all proteic, nucleosidic, organic ligands, ions and water molecules that exist within a sphere of, say, 25A centered at a certain atom of a ligand, while discarding everything outside the sphere.
> Because of the content, are there special flags to be used?
> francesco pietra
> (actually I am already trying with general commands but python is already working from 1 and 1/2 hr without any outcome)d
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