VMD-L Mailing List

From: Keith Refson (no email)
Date: Tue Dec 02 2003 - 03:43:41 CST

John Stone writes:

> At present we don't have a way to color the isosurface representation,
> but the long-term plan is to have 3-D texturing appicable on any
> representation from volumetric data. What sort of coloring were you
> hoping to put on an isosurface? Since the isosurface itself represents
> the surface corresponding to a single value, it wouldn't be colored by the
> density map it came from, but I could see applying colors from a
> _different_ data set.

Initially I just want to assign a visually appealing colour for display
purposes. But if it becomes possible to display more than one
isosurface with transparency then colouring by the data value itself
does become useful.

> Is that what you had in mind? Also, in the current (and soon to be
> released 1.8.2 version) there's no way to alter or warp the density
> map axes, but this could probably be added in the next major rev of
> VMD without much difficulty. Until then, you'd have to do it in
> your own Tcl script, loading the data yourself with the 'mol
> volume' command, in which you'd be able to specify the axes for the
> data set yourself,

It looks straightforward to modify the old "readedm" script. Does
this still work now it has been superceded by the plugin? Or would it
be easier to rebuild the plugin?

> You can display the unit cell for the volumetric data using the
> "box only" mode in the isosurface rep.

Sorry, I didn't make myself clear. I want to display the crystal unit
cell for the molecular object, not just volumetric data. Please treat
this as a feature request if it's not already. :)

Thanks

Keith Refson
Dr Keith Refson,
Building R3
Rutherford Appleton Laboratory
Chilton
Didcot
Oxfordshire OX11 0QX
T: 01235 778023 K d.o.t Refson A.T
F: 01235 445720 rl d.o.t ac .d.o.t uk