Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-02 Thread Robert Hanson
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 osrot...@chemagic.comwrote:

  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_page_large.aspx?smiles=...@h
 ]%28%28c%29c%2...@h]1cc[c@@H]2[C@@]1%28c...@h]3[c@H]2CCC4[C@
 @]3%284%29C%29C

 For the JME applet on our page, I'm now using a choice of two load links -
 jmeFile or smiles.

 I'm interested in how the above link works on Mac. Also, note that the jmol
 javascript command does not work with Windows MSIE 8, so the above link does
 not work on MSIE. On this problem, MSIE ignores the following from the
 console:

 javascript alert(rats)

 The message returned is:

 evalintermediatevaluetoreturn = eval  (  !!_jmol.noEval )

 Chrome and Firefox work just fine - link load and simple alert.
 Unfortunately, MSIE never sees the Jmol loaded function.

 I think the stereochemisrty of cholestane transferred correctly.

 Otis






 On 6/1/2010 12:37 PM, Robert Hanson wrote:



 On Tue, Jun 1, 2010 at 9:03 AM, Otis Rothenberger 
 osrot...@chemagic.comwrote:

 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, load ;javascript 'loadDone()' )


 Sorry -- my error -- in this case you need double quotes or no quotes, not
 single quotes (because it is in the class of commands such as echo and
 message. That should read:

 jmolApplet(300, 'load ;javascript loadDone() ')





 AJAX would be nice, but I can't get past the cross domain security issue
 with the unsigned applet. The signed applet scares many users, so I'm using
 my server to get past this issue. Unfortunately, this means each SMILES to
 mofile is a new load on my page.


 AJAX would be perfect. Just have the applet issue the above loadDone()
 function, and then have the AJAX just return the data as text from IU to a
 JavaScript function. I know, it's tricky to do this right with different
 browsers




 Getting the returned molfile into into a JavaSript variable is a bit
 convoluted with ASP.NET, but it's doable. Normally this is not a problem,
 but the line feeds create a problem in the case of the molfile. I have to go
 to a hidden field and then transfer to a JavaScript variable.


 Sounds retro.



 Anyway, with the above stage set, I just need to be able to hold the
 JavaScript load to Jmol off until the applet is loaded.


 right - switch those quotes.



 Otis




 --


 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users




-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-02 Thread 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 hans...@stolaf.edu 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%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 
 osrot...@chemagic.comwrote:

  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_page_large.aspx?smiles=...@h
 ]%28%28c%29c%2...@h]1cc[c@@H]2[C@@]1%28c...@h]3[c@H]2CCC4[C@
 @]3%284%29C%29C

 For the JME applet on our page, I'm now using a choice of two load links -
 jmeFile or smiles.

 I'm interested in how the above link works on Mac. Also, note that the
 jmol javascript command does not work with Windows MSIE 8, so the above link
 does not work on MSIE. On this problem, MSIE ignores the following from the
 console:

 javascript alert(rats)

 The message returned is:

 evalintermediatevaluetoreturn = eval  (  !!_jmol.noEval )

 Chrome and Firefox work just fine - link load and simple alert.
 Unfortunately, MSIE never sees the Jmol loaded function.

 I think the stereochemisrty of cholestane transferred correctly.

 Otis






 On 6/1/2010 12:37 PM, Robert Hanson wrote:



 On Tue, Jun 1, 2010 at 9:03 AM, Otis Rothenberger 
 osrot...@chemagic.comwrote:

 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, load ;javascript 'loadDone()' )


 Sorry -- my error -- in this case you need double quotes or no quotes, not
 single quotes (because it is in the class of commands such as echo and
 message. That should read:

 jmolApplet(300, 'load ;javascript loadDone() ')





 AJAX would be nice, but I can't get past the cross domain security issue
 with the unsigned applet. The signed applet scares many users, so I'm using
 my server to get past this issue. Unfortunately, this means each SMILES to
 mofile is a new load on my page.


 AJAX would be perfect. Just have the applet issue the above loadDone()
 function, and then have the AJAX just return the data as text from IU to a
 JavaScript function. I know, it's tricky to do this right with different
 browsers




 Getting the returned molfile into into a JavaSript variable is a bit
 convoluted with ASP.NET, but it's doable. Normally this is not a
 problem, but the line feeds create a problem in the case of the molfile. I
 have to go to a hidden field and then transfer to a JavaScript variable.


 Sounds retro.



 Anyway, with the above stage set, I just need to be able to hold the
 JavaScript load to Jmol off until the applet is loaded.


 right - switch those quotes.



 Otis




 --


 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users




 --
 Robert M. Hanson
 Professor of Chemistry
 St. Olaf College
 1520 St. Olaf Ave.
 Northfield, MN 55057
 http://www.stolaf.edu/people/hansonr
 phone: 507-786-3107


 If nature does not answer first what we want,
 it is better to take what answer we get.

 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900




-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-01 Thread Robert Hanson
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 osrot...@chemagic.comwrote:

  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 AJAX, I will
 not have to do a new page load.

 I'm also having problems with triple bonds (#) in the query string. I guess
 I need to try sending escaped text.

 Otis


 On 5/31/2010 6:33 PM, Robert Hanson wrote:

 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 
 osrot...@chemagic.comwrote:

 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 Herráez wrote:
  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!
 
 
 
 
 --
 
  ___
  Jmol-users mailing list
  Jmol-users@lists.sourceforge.net
  https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 

  --
 Otis Rothenberger
 chemagic.com





 --

 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users




 --
 Robert M. Hanson
 Professor of Chemistry
 St. Olaf College
 1520 St. Olaf Ave.
 Northfield, MN 55057
 http://www.stolaf.edu/people/hansonr
 phone: 507-786-3107


 If nature does not answer first what we want,
 it is better to take what answer we get.

 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900


 --




 ___
 Jmol-users mailing 
 listjmol-us...@lists.sourceforge.nethttps://lists.sourceforge.net/lists/listinfo/jmol-users


 --
 Otis Rothenbergerchemagic.com



 --


 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users




-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-01 Thread Robert Hanson
On Tue, Jun 1, 2010 at 9:03 AM, Otis Rothenberger osrot...@chemagic.comwrote:

  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, load ;javascript 'loadDone()' )


Sorry -- my error -- in this case you need double quotes or no quotes, not
single quotes (because it is in the class of commands such as echo and
message. That should read:

jmolApplet(300, 'load ;javascript loadDone() ')





 AJAX would be nice, but I can't get past the cross domain security issue
 with the unsigned applet. The signed applet scares many users, so I'm using
 my server to get past this issue. Unfortunately, this means each SMILES to
 mofile is a new load on my page.


AJAX would be perfect. Just have the applet issue the above loadDone()
function, and then have the AJAX just return the data as text from IU to a
JavaScript function. I know, it's tricky to do this right with different
browsers




 Getting the returned molfile into into a JavaSript variable is a bit
 convoluted with ASP.NET, but it's doable. Normally this is not a problem,
 but the line feeds create a problem in the case of the molfile. I have to go
 to a hidden field and then transfer to a JavaScript variable.


Sounds retro.



 Anyway, with the above stage set, I just need to be able to hold the
 JavaScript load to Jmol off until the applet is loaded.


right - switch those quotes.



 Otis





 On 6/1/2010 9:24 AM, Robert Hanson wrote:

 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 
 osrot...@chemagic.comwrote:

  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 AJAX, I will
 not have to do a new page load.

 I'm also having problems with triple bonds (#) in the query string. I
 guess I need to try sending escaped text.

 Otis


 --
 Otis Rothenbergerchemagic.com



 --


 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users




-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--

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Jmol-users mailing list
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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-01 Thread Otis Rothenberger

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_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

For the JME applet on our page, I'm now using a choice of two load links 
- jmeFile or smiles.


I'm interested in how the above link works on Mac. Also, note that the 
jmol javascript command does not work with Windows MSIE 8, so the above 
link does not work on MSIE. On this problem, MSIE ignores the following 
from the console:


javascript alert(rats)

The message returned is:

evalintermediatevaluetoreturn = eval  (  !!_jmol.noEval )

Chrome and Firefox work just fine - link load and simple alert. 
Unfortunately, MSIE never sees the Jmol loaded function.


I think the stereochemisrty of cholestane transferred correctly.

Otis





On 6/1/2010 12:37 PM, Robert Hanson wrote:



On Tue, Jun 1, 2010 at 9:03 AM, Otis Rothenberger 
osrot...@chemagic.com mailto:osrot...@chemagic.com 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, load ;javascript 'loadDone()' )


Sorry -- my error -- in this case you need double quotes or no quotes, 
not single quotes (because it is in the class of commands such as echo 
and message. That should read:


jmolApplet(300, 'load ;javascript loadDone() ')



AJAX would be nice, but I can't get past the cross domain security
issue with the unsigned applet. The signed applet scares many
users, so I'm using my server to get past this issue.
Unfortunately, this means each SMILES to mofile is a new load on
my page.


AJAX would be perfect. Just have the applet issue the above loadDone() 
function, and then have the AJAX just return the data as text from IU 
to a JavaScript function. I know, it's tricky to do this right with 
different browsers




Getting the returned molfile into into a JavaSript variable is a
bit convoluted with ASP.NET http://ASP.NET, but it's doable.
Normally this is not a problem, but the line feeds create a
problem in the case of the molfile. I have to go to a hidden field
and then transfer to a JavaScript variable.


Sounds retro.


Anyway, with the above stage set, I just need to be able to hold
the JavaScript load to Jmol off until the applet is loaded.


right - switch those quotes.


Otis



--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-01 Thread rgb
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://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

 For the JME applet on our page, I'm now using a choice of two load 
 links - jmeFile or smiles.

 I'm interested in how the above link works on Mac. Also, note that the 
 jmol javascript command does not work with Windows MSIE 8, so the 
 above link does not work on MSIE. On this problem, MSIE ignores the 
 following from the console:
In thunderbird 2.0 (on a mac) the link isn't recognised as one (stops at 
the first [ character) but if I copy the whole thing and paste it into 
FF 3.6 (or safari 4.0) it works just fine.

You do appear to have misspelled your last name on the page though. :-)

Rich


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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-06-01 Thread Jeff Hansen
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://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
 
 For the JME applet on our page, I'm now using a choice of two load 
 links - jmeFile or smiles.
 
 I'm interested in how the above link works on Mac. Also, note that the 
 jmol javascript command does not work with Windows MSIE 8, so the 
 above link does not work on MSIE. On this problem, MSIE ignores the 
 following from the console:
 In thunderbird 2.0 (on a mac) the link isn't recognised as one (stops at 
 the first [ character) but if I copy the whole thing and paste it into 
 FF 3.6 (or safari 4.0) it works just fine.
 
 You do appear to have misspelled your last name on the page though. :-)
 
 Rich
 
 
 --
 
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Angel Herráez
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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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Angel Herráez
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!



--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Maurice Schroff
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: [Jmol-users] need 2-propenyl sulfenic acid molecular model

My son is doing a report on 2-propenyl sulfenic acid for his high school
chemistry class.

He would like to incorporate Jmol into his presentation ... and I think that
is a good idea :)

Q: Where can I get a file for 2-propenyl sulfenic acid?


Thanks!
Miguel


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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Otis Rothenberger
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 Herráez wrote:
 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!



 --

 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users



-- 
Otis Rothenberger
chemagic.com




--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Miguel Howard
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

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Robert Hanson
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 osrot...@chemagic.comwrote:

 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 Herráez wrote:
  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!
 
 
 
 
 --
 
  ___
  Jmol-users mailing list
  Jmol-users@lists.sourceforge.net
  https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 

 --
 Otis Rothenberger
 chemagic.com





 --

 ___
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 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users




-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--

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Re: [Jmol-users] need 2-propenyl sulfenic acid molecular model

2010-05-31 Thread Otis Rothenberger

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 
AJAX, I will not have to do a new page load.


I'm also having problems with triple bonds (#) in the query string. I 
guess I need to try sending escaped text.


Otis

On 5/31/2010 6:33 PM, Robert Hanson wrote:

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 
osrot...@chemagic.com mailto:osrot...@chemagic.com 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
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 Herráez wrote:
 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!





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chemagic.com http://chemagic.com





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Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900


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chemagic.com

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