[Chimera-users] cavity cropped view
Elaine Meng
meng at cgl.ucsf.edu
Thu Feb 1 10:22:04 PST 2007
Hi Randy,
You can use a "zone" specification, either with commands or via the
menu. An example of the command approach:
show ligand zr<5
or
show :glc zr<5
The first example would show all residues [with any atom] within 5
angstroms of what is considered "ligand" ... in the second example, I
gave a specific residue name. GLC is the residue name of glucose in
the PDB entry 2gbp. You could also use a residue number or range of
numbers. "za" instead of "zr" would just the atoms within the cutoff
rather than their whole residues, and > instead of < gets the
complementary set. The "show" command (unlike "display") undisplays
everything that is not specified, so you don't have to undisplay
anything beforehand.
See the "Zones" section of
http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/
frameatom_spec.html
The mostly-menu approach has more steps:
- select the small molecule (for example by Ctrl-clicking one of its
atoms and then pressing the up arrow key)
- use the command
~display
to undisplay everything (if you use the Actions menu, it would just
undisplay the current selection)
- select a zone defined by the current selection (Select... Zone)
with specified cutoff and whether you want it to be atom-based or
residue-based
- display that selection (for example, with Actions... Atoms/Bonds...
show)
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
http://www.cgl.ucsf.edu/home/meng/index.html
On Feb 1, 2007, at 10:01 AM, Randy Heiland wrote:
> What options exist in Chimera for letting me show only that portion
> of a
> protein that is "near" another smaller molecule? Specifically, I
> have a
> ligand in a cavity of a large protein and would like to eliminate the
> "clutter" of the protein away from the cavity of interest.
>
> Thanks, Randy
>
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