Re: [Jmol-users] Followup to "Re: vibrate.htm for Gaussian output?"

2017-04-04 Thread PASCAL Andrew 
Hi, Matt



That's exactly what I was looking for, thanks!



Andy



andy pascal (andrew.pas...@cea.fr)

From: Kubasik, Matthew A. [mkuba...@fairfield.edu]
Sent: 03 April 2017 22:49
To: jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-users] Followup to "Re: vibrate.htm for Gaussian output?"

Hi, Pascal,

A revised version is here:

http://faculty.fairfield.edu/mkubasik/GaussianReaders/GaussianOutput.2017.html

As you know, the original distribution comes with “vibrate.html”.  My page is 
based heavily on that one, shown here:

http://faculty.fairfield.edu/mkubasik/jmol148/jsmol/vibrate.htm

Matt

On Apr 3, 2017, at 4:08 PM, Robert Hanson 
<hans...@stolaf.edu<mailto:hans...@stolaf.edu>> wrote:

Can't help you, sorry. But any of the applications at 
https://chemapps.stolaf.edu/jmol/jsmol can do that. Take a look at 
https://chemapps.stolaf.edu/jmol/jsmol/vibrate.htm.  It is a Spartan file by 
default, but you should be able to drag drop a Gaussian output file into it 
(although it may or may not automatically show vibration info). Unfortunately I 
do not seem to have any Gaussian files that have IR data.





On Mon, Apr 3, 2017 at 1:24 PM, PASCAL Andrew 
<andrew.pas...@cea.fr<mailto:andrew.pas...@cea.fr>> wrote:
Hi

I was looking into making a jsmol applet to read a Gaussian log file, and 
animate the vibrations it contains. I came across this old mailing list thread, 
but I don't know how to get it to my Email client to reply to it! (I'm 
newly-subscribed to the list):

https://sourceforge.net/p/jmol/mailman/message/31853145/

Would Matt Kubasik (or anyone else who may have done this) be prepared to share 
this jsmolvib.html? (Its no longer on the server referred to.)

Thanks...

andy pascal (andrew.pas...@cea.fr<mailto:andrew.pas...@cea.fr>)

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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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] Followup to "Re: vibrate.htm for Gaussian output?"

2017-04-03 Thread Kubasik, Matthew A. 
Hi, Pascal,

A revised version is here:

http://faculty.fairfield.edu/mkubasik/GaussianReaders/GaussianOutput.2017.html

As you know, the original distribution comes with “vibrate.html”.  My page is 
based heavily on that one, shown here:

http://faculty.fairfield.edu/mkubasik/jmol148/jsmol/vibrate.htm

Matt

On Apr 3, 2017, at 4:08 PM, Robert Hanson 
> wrote:

Can't help you, sorry. But any of the applications at 
https://chemapps.stolaf.edu/jmol/jsmol can do that. Take a look at 
https://chemapps.stolaf.edu/jmol/jsmol/vibrate.htm.  It is a Spartan file by 
default, but you should be able to drag drop a Gaussian output file into it 
(although it may or may not automatically show vibration info). Unfortunately I 
do not seem to have any Gaussian files that have IR data.





On Mon, Apr 3, 2017 at 1:24 PM, PASCAL Andrew 
> wrote:
Hi

I was looking into making a jsmol applet to read a Gaussian log file, and 
animate the vibrations it contains. I came across this old mailing list thread, 
but I don't know how to get it to my Email client to reply to it! (I'm 
newly-subscribed to the list):

https://sourceforge.net/p/jmol/mailman/message/31853145/

Would Matt Kubasik (or anyone else who may have done this) be prepared to share 
this jsmolvib.html? (Its no longer on the server referred to.)

Thanks...

andy pascal (andrew.pas...@cea.fr)

--
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___
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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] Followup to "Re: vibrate.htm for Gaussian output?"

2017-04-03 Thread Robert Hanson 
Can't help you, sorry. But any of the applications at
https://chemapps.stolaf.edu/jmol/jsmol can do that. Take a look at
https://chemapps.stolaf.edu/jmol/jsmol/vibrate.htm.  It is a Spartan file
by default, but you should be able to drag drop a Gaussian output file into
it (although it may or may not automatically show vibration info).
Unfortunately I do not seem to have any Gaussian files that have IR data.





On Mon, Apr 3, 2017 at 1:24 PM, PASCAL Andrew  wrote:

> Hi
>
> I was looking into making a jsmol applet to read a Gaussian log file, and
> animate the vibrations it contains. I came across this old mailing list
> thread, but I don't know how to get it to my Email client to reply to it!
> (I'm newly-subscribed to the list):
>
> https://sourceforge.net/p/jmol/mailman/message/31853145/
>
> Would Matt Kubasik (or anyone else who may have done this) be prepared to
> share this jsmolvib.html? (Its no longer on the server referred to.)
>
> Thanks...
>
> andy pascal (andrew.pas...@cea.fr)
>
> 
> --
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>



-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot___
Jmol-users mailing list
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