Bob,
Yeah, I know, but I was expecting that. Simple cyclohexane renders as a
boat! Still, the possibilities in the SMI23D site that you called to our
attention are thought provoking.
The < > trick is new to me. That's a good trick to know in general.
Otis
On 6/2/2010 9:36 AM, Robert Hanson
looks like that works, but I'm not very satisfied with the conformational
outcome!
On Wed, Jun 2, 2010 at 8:35 AM, Robert Hanson wrote:
> that didn't work, though. Try putting < > around that url. Does this work?
>
>
> <
> http://chemagic.com/web_molecules/script_page_large.aspx?smiles=...@h]%28
that didn't work, though. Try putting < > around that url. Does this work?
<
http://chemagic.com/web_molecules/script_page_large.aspx?smiles=...@h]%28%28c%29c%29[c@H]1CC[C@@H]2[C@@]1%28c...@h]3[c@H]2CCC4[C@@]3%284%29C%29C
>
On Tue, Jun 1, 2010 at 8:47 PM, Otis Rothenberger wrote:
> B
Same for me with Mac Mail.
***
Jeff Hansen
Department of Chemistry and Biochemistry
DePauw University
602 S. College Ave.
Greencastle, IN 46135
jhan...@depauw.edu
***
On Jun 1, 2010, at 10:10 PM, rgb wrote:
Otis Rothenberger wrote:
> Bob,
>
> This is the cat's meow. Thanks for the help. I'm still stuck with a
> server side approach (AJAX very frustrating!), but the "Jmol load
> completed" approach seems to work. Cholestane is below. What a slick
> way to communicate 3D models via email:
>
> http://
Bob,
This is the cat's meow. Thanks for the help. I'm still stuck with a
server side approach (AJAX very frustrating!), but the "Jmol load
completed" approach seems to work. Cholestane is below. What a slick way
to communicate 3D models via email:
http://chemagic.com/web_molecules/script_pag
On Tue, Jun 1, 2010 at 9:03 AM, Otis Rothenberger wrote:
> Bob,
>
> You may have told me before, but I forget. How do you signal JavaScript
> that the Jmol applet is loaded? I've tried putting a Jmol javascript command
> into the Jmol load script, but MSIE seems to ignore this.
>
>
jmolApplet(300
Bob,
You may have told me before, but I forget. How do you signal JavaScript
that the Jmol applet is loaded? I've tried putting a Jmol javascript
command into the Jmol load script, but MSIE seems to ignore this.
AJAX would be nice, but I can't get past the cross domain security issue
with th
tisk tisk! Never use setTimeout to do the Jmol load. Use a call FROM Jmol
indicating it has loaded to trigger your AJAX call or whatever.
On Mon, May 31, 2010 at 6:02 PM, Otis Rothenberger wrote:
> Bob,
>
> Right now I pass it from a server variable to a hidden field on the page
> load. This is
Bob,
Right now I pass it from a server variable to a hidden field on the page
load. This is followed by an onLoad call to a TimeOut() load into Jmol.
I suspect that timing is the issue. I have to find a better way to do
it. AJAX per your subsequent email may be the answer. If I understand
AJA
Otis, I had to load that page twice to have it work. Don't know why...
Bob
On Mon, May 31, 2010 at 1:09 PM, Otis Rothenberger wrote:
> Hello Miguel,
>
> I have Bob's IU server page discovery hooked to an unsigned applet via
> our server at chemagic. The following link should take you directly to
Bob, the SMILES support is really *fantastic*!
In the conversion from SMILES -> 3D ...
Q: ... are the atom locations more-or-less correct for a low-energy
configuration?
Q: ... are the bond angles more-or-less correct?
Miguel
---
Hello Miguel,
I have Bob's IU server page discovery hooked to an unsigned applet via
our server at chemagic. The following link should take you directly to
the model your son needs:
http://chemagic.com/web_molecules/script_page_large.aspx?smiles=C=CCSO
Otis
On 5/31/2010 2:01 PM, Angel Her
Hello,
you could also try to search it on the net, maybe in this site
http://cdb.ics.uci.edu/cgibin/ChemicalSearchWeb.psp
regards
-Ursprüngliche Nachricht-
Von: Miguel Howard [mailto:mig...@jmol.org]
Gesendet: Montag, 31. Mai 2010 18:16
An: jmol-users@lists.sourceforge.net
Betreff: [Jmo
Coolest method:
1. find the SMILES string for 2-propenyl sulfenic acid
2. get the latest Jmol 12.0.RC
3. open the script console
4. type
load "$C=CCSO"
5. watch the 3D structure appear in Jmol
Kudos to Bob!
--
Hi Miguel!
You can draw it and have Jmol optimize 3D
Or draw it elsewhere and optimize 3D (I use ChemSketch) then save and open in
Jmol
--
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