Careful -- "3" there is what we call the "atomIndex" not the "atomNumber" --
the distinction there is that "atomIndex" starts at 0, and atomNumber could
be anything depending upon the file, but usually starts with 1. Better is:
select atomno=3
or
select atomIndex=3
just so you are more explicit about what you are selecting.
On Mon, Feb 22, 2010 at 3:10 PM, Oliver Stueker <
[email protected]> wrote:
> Hallo Alexander,
>
> On Mon, Feb 22, 2010 at 14:40, Alexander Rose
> <[email protected]> wrote:
> > Hi all,
> >
> > maybe someone can help.
> >
> > I have an atomno, that I can select with 'select ({3})'. Now but I want
> to select the residue the atom is belongs to. Is that even possible?
>
> select within(GROUP, ({3}) )
>
> > Thanks.
> >
> > Greetings
> > Alex
> >
>
>
> Oliver
>
>
> ------------------------------------------------------------------------------
> Download Intel® Parallel Studio Eval
> Try the new software tools for yourself. Speed compiling, find bugs
> proactively, and fine-tune applications for parallel performance.
> See why Intel Parallel Studio got high marks during beta.
> http://p.sf.net/sfu/intel-sw-dev
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
------------------------------------------------------------------------------
Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
