Re: [Jmol-users] Displaying 'dot box' around molecule

[Miguel <mi...@jm...>]

> I would like to display a box of dots (in a grid like structure) around=

> a molecule, where the color of the dots represent different properties
> of different areas of the molecule. Could anyone please give me any
> pointers to how this could be done..?

Martin,

If I understand your question correctly ... there is no easy way to
accomplish it.

Regarding the 'box' ... you can try the script command 'set boundbox on'.=

That will draw a box around your molecule using the minimum and maximum
coordinates on each of the x,y,z axes. 'set boundbox -1' will draw the bo=
x
as dotted lines. 'set boundbox .25' will make it .25 angstroms. 'color
boundbox orange' will set the color.

However, you said 'grid like structure', so I assume that this 'boundbox'=

is not what you are looking for. And you want to control the color in a
different way.

The only thing that occurs to me is to make it out of atoms. Add
additional atoms to your file. Realistically, in order to do this you
would need to write a program to generate them. Choose atoms with high
element numbers. Place them far enough apart that they do not bond. Make
each element number  a different color.

Maybe someone else will have another idea.


Miguel