From chemistry-request@server.ccl.net Sat Jun 22 01:09:55 2002 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5M59ta26746 for ; Sat, 22 Jun 2002 01:09:55 -0400 Received: from arlen.ccl.net (arlen.ccl.net [192.148.249.10]) by ccl.net (8.11.6+Sun/8.11.6/OSC 2.0) with ESMTP id g5M59t127234; Sat, 22 Jun 2002 01:09:55 -0400 (EDT) Date: Sat, 22 Jun 2002 01:09:54 -0400 (EDT) From: Jan Labanowski To: chemistry@ccl.net cc: Jan Labanowski , DrHuang@DrHuang.com Subject: Polar 4.5 (elecrochemical simulation for MS-WINDOWS) in CCL archives Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII I wanted to thank Dr W. Huang for placing the latest version of popular shareware Polar (electrochemical simulation and data analysis) in CCL archives. You can download it from: http://www.ccl.net/cca/software/MS-WIN95-NT/Polarograms/ or ftp://ftp.ccl.net/pub/chemistry/software/MS-WIN95-NT/Polarograms Jan K. Labanowski | phone: 614-292-9279, FAX: 614-292-7168 Ohio Supercomputer Center | E-mail: jkl@ccl.net 1224 Kinnear Rd, | http://www.ccl.net/~jkl Columbus, OH 43212-1163 | http://www.ccl.net/ http://asdn.net/ From chemistry-request@server.ccl.net Fri Jun 21 19:20:45 2002 Received: from mserve1.acs.ucalgary.ca ([136.159.34.51]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5LNKia14423 for ; Fri, 21 Jun 2002 19:20:45 -0400 Received: from vs2.acs.ucalgary.ca (vs2.acs.ucalgary.ca [136.159.34.109]) by mserve1.acs.ucalgary.ca (Postfix) with ESMTP id F014A1515 for ; Fri, 21 Jun 2002 17:20:39 -0600 (MDT) Received: from ucalgary.ca (mserve2.acs.ucalgary.ca [136.159.34.55]) by vs2.acs.ucalgary.ca (8.11.6/8.11.6) with ESMTP id g5LNINe09327 for ; Fri, 21 Jun 2002 17:18:23 -0600 Received: from dclient217-162-122-236.hispeed.ch(217.162.122.236) by mserve2.acs.ucalgary.ca via smap (V2.0) id ZZ124123; Fri, 21 Jun 2002 17:20:00 -0600 Mime-Version: 1.0 X-Sender: senn@s.imap.ucalgary.ca (Unverified) Message-Id: In-Reply-To: <00fe01c21930$32a4a210$293d6481@woolabpcvsj70k> References: <00fe01c21930$32a4a210$293d6481@woolabpcvsj70k> Date: Sat, 22 Jun 2002 01:20:05 +0200 To: chemistry@ccl.net From: Hans Martin Senn Subject: Re: CCL:Graphics Programs for Visualizing ADF MOs Content-Type: multipart/alternative; boundary="============_-1187420885==_ma============" X-MailScanner: Found to be clean --============_-1187420885==_ma============ Content-Type: text/plain; charset="us-ascii" ; format="flowed" > I am relatively new to the ADF DFT package and I was wondering >if someone could point me to a good molecular graphics viewer for >ADF jobs. In particular I am interested in viewing molecular >structures, Molecular Orbitals and animating vibrational frequencies >with it. Hello Stephen, have a look at Jmol (http://jmol.sourceforge.net/). It is a Java-based molecular viewer, hence platform-independent. It is capable of reading ADF's output files (and a number of other formats) and can animate sequences of structures as well as vibrations; not molecular orbitals or densities, however. The quality of the graphics is very decent, and the program is under active development. Regards, Hans -- ........................................................ Dr. Hans Martin Senn Phone +1 403 220 8204 University of Calgary Fax +1 403 289 9488 Department of Chemistry E-Mail senn@ucalgary.ca 2500 University Drive N.W. Calgary, Alberta Canada, T2N 1N4 --============_-1187420885==_ma============ Content-Type: text/html; charset="us-ascii" Re: CCL:Graphics Programs for Visualizing ADF MOs
    I am relatively new to the ADF DFT package and I was wondering if someone could point me to a good molecular graphics viewer for ADF jobs.  In particular I am interested in viewing molecular structures, Molecular Orbitals and animating vibrational frequencies with it. 


Hello Stephen,

have a look at Jmol (http://jmol.sourceforge.net/). It is a Java-based molecular viewer, hence platform-independent. It is capable of reading ADF's output files (and a number of other formats) and can animate sequences of structures as well as vibrations; not molecular orbitals or densities, however.
The quality of the graphics is very decent, and the program is under active development.


Regards,

Hans
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........................................................
Dr. Hans Martin Senn            Phone  +1 403 220 8204
University of Calgary           Fax    +1 403 289 9488
Department of Chemistry         E-Mail senn@ucalgary.ca
2500 University Drive N.W.
Calgary, Alberta
Canada, T2N 1N4
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