[Jmol-users] Changing the phase of a signed surface? One solution...

Thaks to Pshemak Maslak for a hint. As usual, simply asking a question focuses wonderfully. So to summarise: If generating an MO from a cube, then something along the lines of isosurface MO cutoff @x sign blue red HHa_mo15.cub; will generate jvxl with these colours. The simplest way

[Jmol-users] Changing the phase of a signed surface? One solution...

To avoid confusion regarding my last post, I would elaborate that in isosurface MO cutoff @x sign blue red HHa_mo15.cub; @x is a variable, and would normally be given the explicit value eg 0.02 As for the two lines in the jvxl colorNegative=[x00] colorPositive=[xffa500] I now

Re: [Jmol-users] Changing the phase of a signed surface? One solution...

isosurface color green yellow orb_321.jvxl works for me Bob On Tue, Oct 11, 2011 at 4:08 AM, Rzepa, Henry S h.rz...@imperial.ac.ukwrote: Thaks to Pshemak Maslak for a hint. As usual, simply asking a question focuses wonderfully. So to summarise: I have not yet worked out how to do

[Jmol-users] Changing the phase of a signed surface?

I am loading two MO surfaces thus load HHa_mo15.xyz;isosurface HHa_mo15.jvxl translucent;isosurface append HHa_mo17.jvxl translucent; I want to show the overlap between two MOs. It is of course a 50% probability that the phases will match to show the effect I want. Can anyone offer a

Re: [Jmol-users] Changing the phase of a signed surface?

On 10/10/2011 2:46 PM, Rzepa Henry wrote: I am loading two MO surfaces thus load HHa_mo15.xyz;isosurface HHa_mo15.jvxl translucent;isosurface append HHa_mo17.jvxl translucent; I want to show the overlap between two MOs. It is of course a 50% probability that the phases will match to