From chemistry-request@server.ccl.net Tue Mar 18 15:02:52 2003 Received: from alcides.host4u.net ([216.71.64.98]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2IK2qw01234 for ; Tue, 18 Mar 2003 15:02:52 -0500 Received: from there (CPE0020af6deab6-CM014140015690.cpe.net.cable.rogers.com [24.112.21.96]) by alcides.host4u.net (8.11.6/8.11.6) with SMTP id h2IK2oD31765 for ; Tue, 18 Mar 2003 14:02:50 -0600 Message-Id: <200303182002.h2IK2oD31765@alcides.host4u.net> Content-Type: text/plain; charset="iso-8859-1" From: Aniko Simon Organization: SimBioSys, Inc. To: chemistry@ccl.net Subject: CCL: CLiDE v2.1 is released Date: Tue, 18 Mar 2003 15:05:04 -0500 X-Mailer: KMail [version 1.3.1] MIME-Version: 1.0 Content-Transfer-Encoding: 8bit SimBioSys Inc. is pleased to introduce a new version of CLiDE. CLiDE, an acronym for Chemical Literature Data Extraction, is a document image processing software, which extracts content (i.e. structures, reactions and text) of chemistry documents. While the major focus of CLiDE is to convert scanned images of 2D structures into MOL or ChemDraw file formats, in the latest version it can also convert 2D structures from PDF documents into various chemical file formats. CLiDE version 2.1 contains many new features and enhancements, including: * handling of PDF input files * handling of 4/8 bit bitmap input file formats * better superatom recognition * simplified UI * updated help system Availability: CLiDE v2.1 is available on various MS Windows platforms and it is offered in two packages: * the Lite version is focusing on structures only, and it is suitable for occasional individual page or structure processing * the Full version extracts structures, text and reactions, and it is geared towards creating databases from the literature. For more information about CLiDE please visit our web site at: http://www.simbiosys.ca/ or write us at: clide@simbiosys.ca The Lite version is also available from SciStore: http://chemstore.cambridgesoft.com/software/product.cfm?pid=269 -- Aniko Simon Ph.D. aniko@simbiosys.ca From chemistry-request@server.ccl.net Tue Mar 18 16:04:09 2003 Received: from sims.csuohio.edu ([137.148.5.58]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2IL49w03334 for ; Tue, 18 Mar 2003 16:04:09 -0500 Received: from [137.148.208.57] (iridium.asic.csuohio.edu [137.148.208.57]) by sims.csuohio.edu (Sun Internet Mail Server sims.4.0.1999.09.28.17.31.p2) with ESMTP id <0HBY00902QLK1P@sims.csuohio.edu> for chemistry@ccl.net; Tue, 18 Mar 2003 16:05:44 -0500 (EST) Date: Tue, 18 Mar 2003 16:03:55 -0500 From: Mike Tallhammer Subject: Gaussian 98 error To: chemistry@ccl.net Message-id: MIME-version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT User-Agent: Microsoft-Entourage/10.0.0.1309 I am getting this error when trying to run a oniom calc with G98. Does anyone know why Gaussian is not recognizing this? The name of the center is too long. Fe824 24.38600 41.68800 36.29700 Low ? Error termination via Lnk1e in /software/g98/l101.exe. Job cpu time: 0 days 0 hours 0 minutes .7 seconds. File lengths (MBytes): RWF= 6 Int= 0 D2E= 0 Chk= 1 Scr= 1 Thanks for all your help, Michael Tallhamer Undergraduate Researcher Cleveland State University From chemistry-request@server.ccl.net Tue Mar 18 19:15:19 2003 Received: from ntsmtp01.usc.edu ([128.125.179.129]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2J0FJw09617 for ; Tue, 18 Mar 2003 19:15:19 -0500 Received: by NTSMTP01 with Internet Mail Service (5.5.2653.19) id ; Tue, 18 Mar 2003 16:15:19 -0800 Message-ID: <73564B8DE398D61180500008C75D7E4943895B@NTMAIL03> From: "Pandey, Jaya" To: "'chemistry@ccl.net'" Subject: Receptor modeling Date: Tue, 18 Mar 2003 16:15:17 -0800 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2653.19) Content-Type: text/plain; charset="iso-8859-1" Hi All, I am trying to use MODELLER for my receptor modeling. When I look into it I realise I do not have a strong PDB homolog to the structure. Very short fragments (about 2) are available in PDB. Any clue how can I model my receptor. I do have a very strong homolog in NCBI database. Please help! Jaya