First, you should be using the MO command, not the isosurface command, I think. I can't think of any reason to use isosurface for MOs.
Jonathan Gutow wrote: >Dear users: > I was testing my web export functions before committing them to >sourceforge and ran across some behavior of the isosurface function >that is not what I expected. If this is the correct behavior I will >submit some suggestions for the isosurface command documentation, if >not I will submit a bug report. > >1) "isosurface surfname mo 3" produces a surface representing mo 3 >with the name surfname and the positive and negative lobes displayed >as blue and red, just as if the command "isosurface surfname phase mo >3" was used. If you look at the state of Jmol at this point it does >not have any record of the fact that the surface was created with >coloration showing the phase. Thus if you try to recreate the >display from the state you get the orbital rendered in one color. I >think that either the "phase" should be required or in a script >"phase" should be implicit for mo's from a quantum file. > > > There is some sort of bug there. But what you want is something like: isosurface phase color red blue mo homo >2) I also cannot seem to get the "sign <color> <color>" or "color ><color> <color>" method of choosing the coloration of phase to work. >I believe this is just an issue of not understanding the syntax. > >Thanks, > Jonathan > Dr. Jonathan H. Gutow >Chemistry Department [EMAIL PROTECTED] >UW-Oshkosh Office:920-424-1326 >800 Algoma Boulevard FAX:920-424-2042 >Oshkosh, WI 54901 > http://www.uwosh.edu/faculty_staff/gutow/ > > > > >------------------------------------------------------------------------- >This SF.net email is sponsored by: Microsoft >Defy all challenges. Microsoft(R) Visual Studio 2005. >http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ >_______________________________________________ >Jmol-users mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Professor of Chemistry 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 ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
