From: Robert H. <ha...@st...> - 2013-01-29 11:13:31
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Sure. You can do it two ways. Probably what you want is the two separate orbitals, but you can also combine them to see the cylindrical symmetry. MO [0.5 8 0.5 9] for example will combine the two mathematically. An example of that is at http://chemapps.stolaf.edu/jmol/docs/examples-12/motest/index.htm If you want to show two distinct orbitals, what you can do is to load the model twice: load files "benzene.smol" "benzene.smol" now you have two copies of the same model, one in frame 1 and one in frame 2, and so you can create two MOs: frame 1 MO HOMO frame 2 MO LUMO and you can display both frames: frame * Bob On Tue, Jan 29, 2013 at 12:00 AM, Jonathan Gough <jon...@gm... > wrote: > I know you can show a single MO (from a gamess log file), but is there a > way to visualize 2 of them simultaneously? > > For example if I wanted to show the 2 pi bonds in ethyne - > for sophomore organic students it is helpful to show them both at the same > time.... Not sure it's possible, but I figured I would ask. > > > ------------------------------------------------------------------------------ > Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, > MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current > with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft > MVPs and experts. ON SALE this month only -- learn more at: > http://p.sf.net/sfu/learnnow-d2d > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Chemistry Department St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr 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 |