From chemistry-request;at;server.ccl.net Wed Apr 30 06:00:53 2003 Received: from kdmail2.netcologne.de ([194.8.194.86]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h3UA0rV27662 for ; Wed, 30 Apr 2003 06:00:53 -0400 Received: from cosmologic.de (xdsl-213-168-108-189.netcologne.de [213.168.108.189]) by kdmail2.netcologne.de (Mirapoint Messaging Server MOS 2.9.3.5) with ESMTP id ABC87453 (AUTH klamt-!at!-cosmologic.de); Wed, 30 Apr 2003 12:00:13 +0200 (CEST) Message-ID: <3EAF9EAA.1020201 ^at^ cosmologic.de> Date: Wed, 30 Apr 2003 12:00:10 +0200 From: "Dr. Andreas Klamt" Organization: COSMOlogic GmbH&CoKG User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.0.1) Gecko/20020823 Netscape/7.0 X-Accept-Language: en,pdf MIME-Version: 1.0 To: tt-ccl-: at :-kky.ttu.ee, "chemistry-: at :-ccl.net" Subject: CCL:visualizing MOs from Turbomole Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 7bit With TURBOMOLE there comes a program tm2molden, which allows to convert TURBOMOLE output in a way that it can be visualized by MOLDEN. So that could be one way to do it. Andreas -- -------------------------------------------------------------------------------- Dr. Andreas Klamt COSMOlogic GmbH&CoKG Burscheider Str. 515 51381 Leverkusen, Germany Tel.: +49-2171-73168-1 Fax: +49-2171-73168-9 e-mail: klamt |-at-| cosmologic.de web: www.cosmologic.de -------------------------------------------------------------------------------- COSMOlogic Your Competent Partner for Computational Chemistry and Fluid Thermodynamics --------------------------------------------------------------------------------