From Steven.Creve@chem.kuleuven.ac.be Mon Mar 9 05:16:44 1998 Received: from hartree.quantchem.kuleuven.ac.be for Steven.Creve@chem.kuleuven.ac.be by www.ccl.net (8.8.3/950822.1) id FAA11694; Mon, 9 Mar 1998 05:10:07 -0500 (EST) Received: from localhost (steven@localhost) by hartree.quantchem.kuleuven.ac.be (8.8.7/8.8.7) with SMTP id LAA27970 for ; Mon, 9 Mar 1998 11:11:45 +0100 Date: Mon, 9 Mar 1998 11:11:45 +0100 (NFT) From: Steven Creve To: Computational Chemistry List Subject: CCL:G: Disk usage CCSD(T) Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, does anyone know if there is a rule or program to determine the scratch disk usage for a G94 CCSD(T) run? steven -------------------------------------------------------------------------- Steven Creve steven.creve@chem.kuleuven.ac.be Labo Quantumchemie Celestijnenlaan 200F 3001-HEVERLEE tel: (32) (16) 32 73 93 BELGIUM fax: (32) (16) 32 79 92 From smb@smb.chem.niu.edu Mon Mar 9 12:16:47 1998 Received: from cz2.chem.niu.edu for smb@smb.chem.niu.edu by www.ccl.net (8.8.3/950822.1) id LAA13727; Mon, 9 Mar 1998 11:25:12 -0500 (EST) Received: from cz.chem.niu.edu by cz2.chem.niu.edu via SMTP (920330.SGI/920502.SGI.AUTO) for CHEMISTRY@www.ccl.net id AA06735; Mon, 9 Mar 98 09:50:41 -0600 Received: from smb.chem.niu.edu by cz.chem.niu.edu via SMTP (920330.SGI/890607.SGI) (for @cz2.chem.niu.edu:CHEMISTRY@www.ccl.net) id AA04121; Mon, 9 Mar 98 10:22:24 -0600 Received: from smb by smb.chem.niu.edu via SMTP (940816.SGI.8.6.9/940406.SGI) id KAA20158; Mon, 9 Mar 1998 10:25:04 -0600 Sender: smb@smb.chem.niu.edu Message-Id: <350417DE.15FB@smb.chem.niu.edu> Date: Mon, 09 Mar 1998 10:25:02 -0600 From: Steven Bachrach X-Mailer: Mozilla 3.01 (X11; I; IRIX 5.3 IP12) Mime-Version: 1.0 To: computational chemistry list Cc: "Bachrach, Steven" , "Rzepa, Henry" , "Heller, Steve" Subject: Call for Papers - Chemistry and the Internet Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit The Chemistry and the Internet conference will be held September 12-15, 1998 in Irvine CA. This conference will look into the current and future technologies and developments for chemistry using the internet. The Internet has become a major avenue for communication among scientists. This meeting will gather together the leaders and innovators in developing Internet resources for chemists, leading to discussions of what future innovations and direction will bring to chemists. Chemists who use the Internet on a regular basis, webmasters and web developers for chemistry sites, and web publishers will benefit greatly from this conference. In addition working chemists who want to learn from leaders in this high growth and high visibility area what the current and future value of the Internet will also find the conference of great value. Further information on the conference can be found at http://www.ijc.com/ci1/ There is an opportunity for 10 contributed talks within this meeting. Each talk will last for 20 minutes with a couple of minutes available for questions. Since there is a limited number of available slots for contributed talks, speakers are required to submit their abstract prior to May 1, 1998. The Organizing Committee will then determine the accepted talks and contact all speakers. Abstract submisison must be done using the online form at http://www.ijc.com/ci1/chemint98.form.html Please do not hesitate to contact the conference organizers if you have any questions. Steven Bachrach, smb@smb.chem.niu.edu Stephen Heller, srheller@gig.usda.gov Henry Rzepa, h.rzepa@ic.ac.uk -- Steven Bachrach Department of Chemistry Northern Illinois University DeKalb, Il 60115 Phone: (815)753-6863 smb@smb.chem.niu.edu Fax: (815)753-4802 From dimitris@boris.3dp.com Mon Mar 9 18:16:49 1998 Received: from worf.ndepot.com for dimitris@boris.3dp.com by www.ccl.net (8.8.3/950822.1) id RAA17334; Mon, 9 Mar 1998 17:38:21 -0500 (EST) Received: from boris.3dp.com ([199.33.182.1]) by worf.ndepot.com (8.7.6/8.7.3) with SMTP id RAA05837 for <@worf.ndepot.com:chemistry@www.ccl.net>; Mon, 9 Mar 1998 17:20:08 -0500 Received: from telesis.3dp.com (telesis.3dp.com [199.33.182.78]) by boris.3dp.com (951211.SGI.8.6.12.PATCH1502/950213.SGI.AUTOCF) via SMTP id RAA27003 for ; Mon, 9 Mar 1998 17:39:52 -0500 Received: by telesis.3dp.com with Microsoft Mail id <01BD4B82.3E0D4290@telesis.3dp.com>; Mon, 9 Mar 1998 17:38:59 -0500 Message-ID: <01BD4B82.3E0D4290@telesis.3dp.com> From: "Dimitris K. Agrafiotis" To: "'chemistry@www.ccl.net'" Subject: desperately seeking benzodiazapene data... Date: Mon, 9 Mar 1998 17:37:28 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit We are writing a paper on combinatorial library design using Ellman's benzodiazapene libraries as an example, and I am looking for some known SAR data against any target for which such compounds have been tested. Your help would be greatly (understatement) appreciated. Thanks, --- Dimitris K. Agrafiotis, PhD | E-mail: dimitris@3dp.com 3-Dimensional Pharmaceuticals, Inc. | Tel: (610) 458-6045 665 Stockton Drive, Suite 104 | Fax: (610) 458-8249 Exton, PA 19341