From owner-chemistry@ccl.net Mon Feb 11 19:27:00 2008 From: "=?ISO-8859-1?Q?Sina_T=FCreli?= sinatureli_-_gmail.com" To: CCL Subject: CCL: Formal charges Message-Id: <-36267-080211173058-9561-OAQXR8xtvmLjG3w+oUwkng..server.ccl.net> X-Original-From: "=?ISO-8859-1?Q?Sina_T=FCreli?=" Content-Type: multipart/alternative; boundary="----=_Part_20791_28192064.1202765730323" Date: Mon, 11 Feb 2008 23:35:30 +0200 MIME-Version: 1.0 Sent to CCL by: "=?ISO-8859-1?Q?Sina_T=FCreli?=" [sinatureli:+:gmail.com] ------=_Part_20791_28192064.1202765730323 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline But when I select labels and then formal charges nothing is displayed on the screen even after I run the calculations. Other charges show though (like mulliken etc). Also there is no option for formal charges in the display menu... On Feb 11, 2008 7:49 PM, David Hose anthrax_brothers ~~ hotmail.com < owner-chemistry]*[ccl.net> wrote: > > Sent to CCL by: "David Hose" [anthrax_brothers===hotmail.com] > If you want to display the charges on the 3D structure in Spartan, try > this. From the Model menu > select Labels. Depending upon your preferences, you might see the atom > labels appear (default of > white text on a green background, so the labels may be invisible if you > have charged your background > to white). Then select Configure... from the Model menu and select the > appropriate radio button. > > If you haven't already discovered this, if you click the "P" icon in the > Properties dialogue (under the > Display menu), the charge of the atom selected will be added to the > spreadsheet. > > Regards, > > Dave. > > > > > Sent to CCL by: "Sina T reli" [sinatureli{:}gmail.com] > > Hello, > > > > Is there any tool that will calculate formal charges on a molecular > system and display it? I have tried > spartan but couldnt figure how it displays formal charges though there is > an option for it in the > display menu... > > > > Thanks> > > ------=_Part_20791_28192064.1202765730323 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline But when I select labels and then formal charges nothing is displayed on the screen even after I run the calculations. Other charges show though (like mulliken etc). Also there is no option for formal charges in the display menu...

On Feb 11, 2008 7:49 PM, David Hose anthrax_brothers ~~ hotmail.com <owner-chemistry]*[ccl.net> wrote:

Sent to CCL by: "David  Hose" [anthrax_brothers===hotmail.com]
If you want to display the charges on the 3D structure in Spartan, try this.  From the Model menu
select Labels.  Depending upon your preferences, you might see the atom labels appear (default of
white text on a green background, so the labels may be invisible if you have charged your background
to white).  Then select Configure... from the Model menu and select the appropriate radio button.

If you haven't already discovered this, if you click the "P" icon in the Properties dialogue (under the
Display menu), the charge of the atom selected will be added to the spreadsheet.

Regards,

Dave.

>
> Sent to CCL by: "Sina  T  reli" [sinatureli{:}gmail.com]
> Hello,
>
> Is there any tool that will calculate formal charges on a molecular system and display it? I have tried
spartan but couldnt figure how it displays formal charges though there is an option for it in the
display menu...
>
> Thanks



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