From chemistry-request-!at!-server.ccl.net Fri May 18 08:45:39 2001 Received: from mail.fqspl.com.pl ([212.244.147.7]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f4ICjYI09070 for ; Fri, 18 May 2001 08:45:34 -0400 Received: (qmail 28021 invoked from network); 18 May 2001 14:46:00 -0000 Received: from magda.fqspl.com.pl (HELO magda) (10.10.10.32) by mail.fqspl.com.pl with SMTP; 18 May 2001 14:46:00 -0000 Message-ID: <1a3c01c0df98$b219eb40$200a0a0a[ AT ]fqspl.com.pl> From: "Magda Wilczewska" To: Subject: MOPAC2000 and LinMOPAC1.0 on 1 CD from FUJITSU Date: Fri, 18 May 2001 14:47:28 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 8bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2919.6700 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2919.6700 New Molecular Orbital Software Package for Linux from FUJITSU is available! MOPAC2000 and LinMOPAC1.0 on 1 CD. LinMOPAC 1.0 provides a simple graphical user interface (GUI) to the semiempirical computational chemistry program MOPAC2000 version 1.33. 3D molecular visualization and a simple MOPAC setup dialog make running experiments easy even for inexperienced MOPAC users: * LinMOPAC reads and displays molecular structures from standard MOPAC ".dat" files. * It provides visual controls for running a MOPAC job. * LinMOPAC displays the final molecular geometry and molecular orbitals as well as the text MOPAC output file. * Visual rendering modes allow for wire-frame, ball-and-stick, cylinders, and space-filling molecular structure representations. * Input files can be edited in text mode. * No knowledge of MOPAC keywords is required to run LinMOPAC. * The orbitals can be displayed using different surface representation methods in both opaque and transparent models. New version of MOPAC2000 (MOPAC2000 1.33) * Bugs fixed * Improved configuration Interaction module * Dynamic memory allocation * Increased speed and accuracy We would like to invite you to evaluate the new product. Please send your request for free CD to FQS Poland at ccs ^at^ fqspl.com.pl or at the address below: ------------------------------------------------- Magdalena Wilczewska FQS Poland Sp. z o.o. Palac Pugetów; ul. Starowislna 13-15 31-038 Kraków, Poland Tel.: (+48 12) 429 43 45 Fax. (+48 12) 429 61 24 e-mail: ccs {*at*} fqspl.com.pl URL. http://www.fqspl.com.pl