From owner-chemistry@ccl.net Wed Mar 3 09:47:01 2010 From: "Morad El-Hendawy m80elhendawy-,-yahoo.com" To: CCL Subject: CCL: Visualizing Software Message-Id: <-41360-100303032321-30094-/2fWIdriysETdkT48QFDMw .. server.ccl.net> X-Original-From: Morad El-Hendawy Content-Type: multipart/alternative; boundary="0-1224536481-1267604590=:6794" Date: Wed, 3 Mar 2010 00:23:10 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: Morad El-Hendawy [m80elhendawy . yahoo.com] --0-1224536481-1267604590=:6794 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Yes, ORTEP can do that, it is free. http://www.chem.gla.ac.uk/~louis/software/ortep3/ http://www.ornl.gov/sci/ortep/ortep.html Regards, Morad --- On Tue, 3/2/10, Anthony F kwyjib09[-]gmail.com wrote: > From: Anthony F kwyjib09[-]gmail.com Subject: CCL: Visualizing Software To: "El-Hendawy, Morad Metwally " Date: Tuesday, March 2, 2010, 10:55 PM Sent to CCL by: "Anthony=A0 F" [kwyjib09|*|gmail.com] Thanks for everyone previous help on visualizing NBOS. My next question is on visualizing my XYZ files. I have used Avogadro, VMD,= and Gabedit. But I want to make diagrams like these: http://bhgroup.lsa.umich.edu/files/u1/ge-prop-ortep.gif I prefer how the ellipsoids have the 3D effect and that everything is in bl= ack and white. I don't like how bonds have two different colors in Avogadro= and VMD. Can you guys suggest a program that can visualize those clusters?=20 Thanks=20 Anthony -=3D This is automatically added to each message by the mailing script =3D-=A0 =A0 =A0=A0 =A0 =A0Subscribe/Unsubscribe:=20 =A0 =A0 =A0Job: http://www.ccl.net/jobs=20=A0 =A0 =A0=0A=0A=0A --0-1224536481-1267604590=:6794 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Yes, ORTEP can do that, it is free.
http:/= /www.chem.gla.ac.uk/~louis/software/ortep3/
http://www.ornl.gov/sci/orte= p/ortep.html
Regards,
Morad

--- On Tue, 3/2/10, Anthony F k= wyjib09[-]gmail.com <owner-chemistry[A]ccl.net> wrote:

From: Anthony F kwyjib09[-]gmail.com <owner-c= hemistry[A]ccl.net>
Subject: CCL: Visualizing Software
To: "El-Henda= wy, Morad Metwally " <m80elhendawy[A]yahoo.com>
Date: Tuesda= y, March 2, 2010, 10:55 PM


Sent to CCL = by: "Anthony  F" [kwyjib09|*|gmail.com]
Thanks for everyone previou= s help on visualizing NBOS.

My next question is on visualizing my XY= Z files. I have used Avogadro, VMD, and Gabedit. But I want to make diagram= s like these:

http://bhgroup.lsa.umich.edu/files/u1/ge-prop-ort= ep.gif

I prefer how the ellipsoids have the 3D effect and that e= verything is in black and white. I don't like how bonds have two different = colors in Avogadro and VMD.

Can you guys suggest a program that can = visualize those clusters?

Thanks

Anthony



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