Jennifer Muzyka wrote: >I'm finally trying to understand and implement the isosurface features >to show molecular orbitals. I wanted to study the examples with >ethene-HOMO.cub.gz. Unfortunately it doesn't work. I'm looking at: >http://www.stolaf.edu/academics/chemapps/jmol/docs/?ver=11.0#isosurface >I would appreciate any suggestions >-Jennifer > > > Ah, OK, right. I see I need to update those examples. This was the case of a missing file. But more importantly, the example that is there is not adequate. There's no need to use the isosurface command for orbitals anymore unless you want to do some rather complicated business. I'll fix that example and also try to point to some newer uses.
Jennifer, take a look at http://www.stolaf.edu/academics/chemapps/jmol and in particular on the right, "molecular orbitals". I think this is more along the lines of what you want. It's the MO command. http://www.stolaf.edu/academics/chemapps/jmol/docs/?ver=11.0#mo Bob ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
