I couldn’t resist playing and so now we have a semi-transparent surface
engine rendering in red right now using triangles… It is looking
pretty good
already. It still needs more work in order to get the colours right and
make it
more useful. The algorithm seems to be working quite well with small
molecules
at the very least.
I haven’t had a chance to build the new engine, but the colors for now
should simply be something neutral. Many times people want to map a
function (e.g., charge) onto the surface – and the color of the charge is
what we’d want to see.
But this is great news. We’ve got the dot view and the semi-transparent
view for surfaces. (I guess if we added a transparency slider like the VdW
spheres, we’d also cover the opaque surface view.)
Cheers,
-Geoff
On Feb 9, 2008 6:50 PM, geoff.hutchison@gmail.com wrote:
I couldn’t resist playing and so now we have a semi-transparent surface
engine rendering in red right now using triangles… It is looking
pretty good
already. It still needs more work in order to get the colours right and
make it
more useful. The algorithm seems to be working quite well with small
molecules
at the very least.
I haven’t had a chance to build the new engine, but the colors for now
should simply be something neutral. Many times people want to map a
function (e.g., charge) onto the surface – and the color of the charge is
what we’d want to see.
But this is great news. We’ve got the dot view and the semi-transparent
view for surfaces. (I guess if we added a transparency slider like the VdW
spheres, we’d also cover the opaque surface view.)
Just comitted a settings widget which lets you set the RGB color or
use electrostatic potential (needs better smouthing function/cut-off
values I think), opacity, step size, padding, and render mode (fill,
lines, points). For some reason the opacity slider isn’t working
directly for the RGB surfaces, switching to ESP and back does affect
the opacity of the RGB surface.
Tim