From owner-chemistry _-at-_)ccl.net Wed Oct 5 21:16:00 2005 From: "cesar mujica cesarmujica/./gmail.com" To: CCL Subject: CCL: W:Program for reading MOPAC output Message-Id: <-29503-051005192100-779-LXlrk5Ui6B4hjutnzkMEvg:server.ccl.net> X-Original-From: cesar mujica Content-Type: multipart/alternative; boundary="----=_Part_9624_26921107.1128550692790" Date: Wed, 5 Oct 2005 17:18:12 -0500 MIME-Version: 1.0 Sent to CCL by: cesar mujica [cesarmujica+*+gmail.com] ------=_Part_9624_26921107.1128550692790 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Dear Gustavo, Exist a free software namely MOLDEN and your can download in http://www.cmbi.ru.nl/molden/molden.html I hope that this program are useful for you. Best regards, Cesar Mujica cesarmujica(!)gmail.com Chemistry Department Universidad del Valle On 10/5/05, Gustavo L.C. Moura gustavo[-]mercury.chem.pitt.edu < owner-chemistry(!)ccl.net> wrote: > > > Sent to CCL by: "Gustavo L.C. Moura" [gustavo~!~mercury.chem.pitt.edu] > Dear CCL readers, > I have a large number of molecules that I have optimized using the MOPAC > program. I would like to know if there is a graphical program that can re= ad > the MOPAC output, draw the molecule on the screen and provide an easy way= of > showing the charges over each one of the atoms. The program could either > show the charges as a label over the atoms or as a table beside the drawn > molecule. > I am really looking for a free for academia program, but any suggestions > are welcome. The program should be for Windows or Linux operating systems= . > Thank you very much in advance for your help. > Sincerely yours, > Gustavo L.C. Moura > > ------=_Part_9624_26921107.1128550692790 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline
Dear Gustavo,
 
Exist a free software namely MOLDEN and your can download in
http://www.cmbi.r= u.nl/molden/molden.html
 
I hope that this program are useful for you.
 
Best regards,
 
Cesar Mujica
cesarmujica(!)gmail.com
Chemistry Department
Universidad del Valle


 
On 10/5/05, = Gustavo L.C. Moura gustavo[-]mercury.chem.pitt.edu <owner-chemistry(!)ccl.net> wrote:

Sent to CCL by: "Gustav= o L.C. Moura" [gustavo~!~mercury.chem.pitt.edu]
Dear CCL readers,     I have a large number of molecules that I have opti= mized using the MOPAC program. I would like to know if there is a graphical= program that can read the MOPAC output, draw the molecule on the screen an= d provide an easy way of showing the charges over each one of the atoms. Th= e program could either show the charges as a label over the atoms or as a t= able beside the drawn molecule.
    I am really looking for a free for academia pro= gram, but any suggestions are welcome. The program should be for Windows or= Linux operating systems.
    Thank you very much in= advance for your help.
    Sincerely yours,
            = ;            &n= bsp;      Gustavo L.C. Moura

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