On Thu, Apr 28, 2016 at 11:25 PM, Otis Rothenberger
wrote:
> Bob,
>
> I was aware of the Jmol integration of JSME and JSpecView, but I did not
> know that auto sync 2D to 3D was an option - i.e. as the 2d drawing grows
> the 3d model is automatically updated with no transfer button click
> requir
Bob,
I was aware of the Jmol integration of JSME and JSpecView, but I did not know
that auto sync 2D to 3D was an option - i.e. as the 2d drawing grows the 3d
model is automatically updated with no transfer button click required.
Am I reading you correctly on this:
jmol = Jmol.getApplet("jmol"
Oh, and JSmol on that jsv_predict2.htm page is using special "all-atom"
SMILES calls to find the mapping between JSpecView, JSmol, and JSME, since
the MOL file coming back from JSpecView is not the mol file sent to it.
It's critical in this case that every atoms - especially the H atoms -- are
sync
Otis, that's very interesting. Nice job on that. I think you are
forgetting, though, that JSME is fully integrated into JSmol already. You
do not need to add any functions of your own.
If you look at the code for chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm,
you will see that JSME integrates into
Maybe someone pointed this out before, but it’s new to me...
The page below is an ongoing test page that I use, so there are some button and
screen message issues (conflicts). Nevertheless one new JSME point is so much
fun that I thought I’d point it out:
http://chemagic.org/molecules/mini2.htm
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