VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Sep 22 2000 - 16:34:17 CDT

Eric,
  To not show the residue itself, just change your selection to:
not (resname GLU and resid 200) and same residue as (within 2 of (resname GLU and resid 200))

If you use the "Save config" option from the mouse menu, you should be
able to save your VMD setup, so that you can reload it by using
"play myscript.vmd" at a later time. Is that what you're asking?

Let us know if you have other questions,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Sep 22, 2000 at 02:31:06PM -0700, Eric Hu wrote:
> Eric Hu wrote:
>
> >
> >
> > John Stone wrote:
> >
> >> > 3. I don't quite understand how to select contact residues (14.6
> >> in user
> >> > menu). Let's say I have a protein.pdb file and want to define the
> >> > contact residues with 200 GLU.
> >>
> >> Being a computer scientist, I'm not familiar with what you mean by
> >> "200 GLU", but I assume you mean resname GLU and resid 200, could
> >> you elaborate? If you're looking for all residues in contact with
> >> another residue ("200 GLU"?) you could do this:
> >> same residue as (all within 2 of (resname GLU and resid 200))
> >>
> >
> > Hi, John
> > Thanks a lot for your email. It really helps a lot. One thing I want
> > to know is that when I select the close contact residues. It includes
> > the residue itself (e.g. GLU). How can I disable this selection? Also
> > after I edit the pdb file can I save those modifications and work on
> > it later. Now I always have to redo everything from the beginning when
> > loading that unfinished file.
> > -Eric 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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