Hi, thanks Oliver, that was very helpfull
thanks Robert for the clarification and introduction to some ubiquitous language Alex ----- "Robert Hanson" <[email protected]> schrieb: > Von: "Robert Hanson" <[email protected]> > An: [email protected] > Gesendet: Montag, 22. Februar 2010 22:36:16 GMT +01:00 > Amsterdam/Berlin/Bern/Rom/Stockholm/Wien > Betreff: Re: [Jmol-users] selecting a residue using only an atomno that is > part of it > > 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 ------------------------------------------------------------------------------ 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
