From: Robert H. <ha...@st...> - 2009-07-15 11:55:08
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excellent! 2009/7/15 Jan Halborg Jensen <jhj...@ke...> > "Robert Hanson" <ha...@st...> skrev: > > yes, absolutely. There are two ways: > > > > 1) use the ISOSURFACE command rather than the MO command. > > I have an example of option 1 here > http://molecularmodelingbasics.blogspot.com/2009/07/ammonia-vsepr.html > > Jan > > > 2) load the model twice -- into two frames -- and then create MOs in > each. > > > > There are slight differences in how that works. > > > > Bob Hanson > > > > On Tue, Jul 14, 2009 at 3:36 PM, Jörg Saßmannshausen < > > jor...@st...> wrote: > > > >> Dear all, > >> > >> I came across the possibility to use jmol for NBO visualisation and I > got > >> to > >> say, I am very happy about that. Specially as you can turn the molecule > you > >> can get a very good view about the orbitals. > >> > >> What I was wondering is, however, is it possible to draw 2 orbitals > (donor > >> and > >> acceptor) in one molecule? > >> I tried the obvious combinations of mo 1; mo 2 and mo 1 mo 2 but somehow > >> without success. Also, is it possible to have a different surface of the > >> orbital, so not the mesh, rather like the pictures NOBView generates? > >> > >> All the best from Glasgow! > >> > >> Jörg > >> > >> -- > >> ************************************************************* > >> Jörg Saßmannshausen > >> Research Fellow > >> University of Strathclyde > >> Department of Pure and Applied Chemistry > >> 295 Cathedral St. > >> Glasgow > >> G1 1XL > >> > >> email: jor...@st... > >> web: http://sassy.formativ.net > >> > >> Please avoid sending me Word or PowerPoint attachments. > >> See http://www.gnu.org/philosophy/no-word-attachments.html > >> > >> > >> > >> > > ------------------------------------------------------------------------------ > >> Enter the BlackBerry Developer Challenge > >> This is your chance to win up to $100,000 in prizes! For a limited time, > >> vendors submitting new applications to BlackBerry App World(TM) will > have > >> the opportunity to enter the BlackBerry Developer Challenge. See full > prize > >> details at: http://p.sf.net/sfu/Challenge > >> _______________________________________________ > >> Jmol-users mailing list > >> Jmo...@li... > >> 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 > > > > -------------------------------- > > ------------------------------------------------------------------------------ > > Enter the BlackBerry Developer Challenge > > This is your chance to win up to $100,000 in prizes! For a limited time, > > vendors submitting new applications to BlackBerry App World(TM) will have > > the opportunity to enter the BlackBerry Developer Challenge. See full > prize > > details at: http://p.sf.net/sfu/Challenge > > -------------------------------- > _______________________________________________ > > Jmol-users mailing list > > Jmo...@li... > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > > ------------------------------------------------------------------------------ > Enter the BlackBerry Developer Challenge > This is your chance to win up to $100,000 in prizes! For a limited time, > vendors submitting new applications to BlackBerry App World(TM) will have > the opportunity to enter the BlackBerry Developer Challenge. See full prize > details at: http://p.sf.net/sfu/Challenge > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > 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 |