[note: this message relates to the experimental prototype "Jmol 10.x" not
the public release Jmol 10.2. See
http://www.stolaf.edu/people/hansonr/jmol/test/proto/new.htm for details.]
For anyone interested in how isosurfaces are drawn and how JVXL
files can be put together, I've made some more additions to
http://www.stolaf.edu/people/hansonr/jmol/docs/JVXL-format.pdf
Nice pics there, I think.
Planar slices are particularly well suited to this format.
I was able to see reductions on the order of 2000-6000 --
from 6.7 Mb to 2.7 Kb in one case; from 1.8 Mb to 952 bytes,
and 3.7 Mb to 1400 bytes in others.
So if all you want is one or more static slices through a molecule,
JVXL is a great way to go.
Oh, to be able to do solvent surfaces this way!
I propose:
isosurface solvent 1.2 #optional radius
which would allow for
isosurface solvent color "some_density.cub"
and creating .jvxl files for these so they can be loaded quickly.
I think we're pretty close, actually:
http://www.stolaf.edu/people/hansonr/jmol/test/proto/dots.htm
I'd be very interested to see what this would look like transformed into an
isosurface.
(I understand it's not trivial....)
Bob
In addition, I think we should be able to map a solvent surface
with charge-related data directly, with no external file. But I
don't know how to do that, and in any case, I'm not really sure
we can get the solvent surface working this way. I'm come back
to this when I can.
Bob
--
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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