Thank you Bob.
I really really like it.
I think that it looks great.
I was happily surprised that when I "set smartARomatic false; reset aromatic"
on your benzene it kept the bonds in the plane when I rotated the molecule. It
did end up putting the dashed bond on the outside after rotating once though.
Thank you again Bob.
Jay
On 9/10/10 8:19 AM, "Robert Hanson" <hans...@stolaf.edu> wrote:
that can be experimented with at
http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm?topic=11
I think this could be a new default. Let's talk about it.
On Fri, Sep 10, 2010 at 7:31 AM, Robert Hanson <hans...@stolaf.edu> wrote:
Uploading now a slight modification of this idea:
# new feature: multipleBondSpacing
# set multipleBondSpacing = -1 (default, varies with viewing angle)
# set multipleBondSpacing = -0.5 (half that distance; varies with viewing
angle)
# set multipleBondSpacing = 0.35 (positive ==> fixed multiple bond spacing,
Angstroms)
On Fri, Sep 10, 2010 at 12:22 AM, Robert Hanson <hans...@stolaf.edu> wrote:
On Thu, Sep 9, 2010 at 4:36 PM, Shore, Jay <jay.sh...@sdstate.edu> wrote:
I wonder if it would be easier to put it in the Sticks class - would that make
it easier for use with external renderers (e.g. povray)?
doesn't matter. The exporters use exactly the same rendering code. They just
interpret the graphics commands a bit differently.
For triple bonds, one could try to define a plane for each molecule so all
triple bonds were oriented the same way. A vector, orthogonal to the triple
bond, that goes through the three cylinders representing the triple bond,
should be parallel to the plane defined for the molecule.
Think about that.
If the plane defined for the molecule corresponded to the plane with the
maximum surface area (e.g., for benzene a plane perpendicular to the C6 axis),
most likely the planes of the double and triple bonds should be consistent.
No way is that going to be efficient. Whatever it is, it has to be VERY simple.
Let's try just double first, just to see what you think. Then tackle triple.
version=12.1.11_dev
# new feature: lockMultipleBonds (preliminary)
set lockMultipleBonds 0.35 # set locked distance between cylinders for multiple
bonds to be 0.35 Angstroms
set lockMultipleBonds 0 # unlocks multiple bonds and lets them adjust distance
between cylinders (Jmol default)
Bob
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