On Nov 4, 2006, at 7:01 PM, Bob Hanson wrote:



This link should be:

Frieda


set hermiteLevel and smoother cartoons

Jmol 10.9.93 introduces a more sophisticated look for cartoons and other 
secondary structure depictions. The smoothness level of the Hermite 
curves can be increased or decreased using "set hermiteLevel n" where n 
is 0 to 8. The default is 4; 0 returns to the Jmol 10.2 standard flat 
ribbons and rough rope-like traces. A word of caution: Setting the 
hermite level to 8 can significantly slow processing and possibly result 
in out-of-memory conditions.

load 1crn.pdb;restrict none;select *;cartoons on;color structure
moveto 1.0 { 140 -957 -255 50.6} 277.4 {10.5935 10.2105 6.079} 17.4;
set hermitelevel 1
set hermitelevel 2
set hermitelevel 3
set hermitelevel 4
set hermitelevel 5
set hermitelevel 6
set hermitelevel 7
set hermitelevel 8


load 1mbo.cif;restrict none;select *;cartoons on;color structure;select 
HEM;wireframe 0.1;color cpk;set hermitelevel 4;moveto 1.0 { 422 126 898 
117.4} 192.2 {15.027501 19.463001 6.660001} 35.7;
set hermitelevel 0

------------

I'd like input on what to use as the default. Right now I've set the 
defaults to

  set hermiteLevel 4
  set ribbonAspectRatio 16
  set traceAlpha false


The Jmol 10.2 "flat" ribbon look is:

  set hermiteLevel 0
  set ribbonAspectRatio 0
  set traceAlpha false


We need to discuss if this slower but fancier rendering is acceptable as 
a default.

This rendering uses a totally different means of rendering than was used 
before. Instead of painting a ribbon or other flat surface in 2D, and 
instead of using a sequence of spheres to generate a trace, what this 
does is create a 3D surface that is displayed using the same mechanism 
as for orbitals. (It's a mesh of quadrilaterals.)

It uses significantly more memory, and I'm a bit worried that extremely 
large molecules will choke. So please give it a good run-through. You 
may notice a bit of jerkiness; this is because the surfaces are being 
constructed on the fly, only when needed.

Also, it is set so that if the structure being drawn is very small (low 
zoom, far-away small, that is), then it reverts to the simpler 
"hermiteLevel 0" mode. This may or may not be effective. The objective 
is to speed rendering when you can't see the difference anyway. We need 
to test that out.

Something else I added that should make quite a difference for large 
systems: There is now a preliminary check to see if the alpha carbon of 
a group is well outside the window frame, and if it is, then the whole 
group is skipped in terms of rendering. (It may surprise you to learn 
that in 10.2 if an atom is far outside the window, it is still 
processed, but that's the way it was.) My preliminary tests suggest this 
is very effective at high zoom level.

I haven't done the arrow heads, but it's not a big deal to do them as well.
Rockets? Maybe....

Please let me know if you start seeing "render mesh error" in the 
console at any time.

Bob

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Frieda Reichsman, PhD

Molecules in Motion

Interactive Molecular Structures

http://www.moleculesinmotion.com


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