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.
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/
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