From owner-chemistry@ccl.net Mon Aug 12 12:17:07 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id LAA18169; Mon, 12 Aug 1996 11:36:21 -0400 (EDT) Received: from gatekeeper.tripos.com for sash@elara.tripos.com by bedrock.ccl.net (8.7.5/950822.1) id LAA19111; Mon, 12 Aug 1996 11:36:20 -0400 (EDT) Received: (from news@localhost) by gatekeeper.tripos.com (8.6.12/8.6.12) id KAA09088 for ; Mon, 12 Aug 1996 10:36:49 -0500 Received: from tripos.tripos.com(192.160.145.1) by gatekeeper.tripos.com via smap (V1.3) id sma009086; Mon Aug 12 10:36:46 1996 Received: from elara.tripos (elara.tripos.com [192.160.145.60]) by tripos.tripos.com (8.6.12/8.6.12) with ESMTP id KAA00606 for ; Mon, 12 Aug 1996 10:34:21 -0500 Received: from 192.160.145.25 by elara.tripos (951211.SGI.8.6.12.PATCH1042/5.6) id KAA29026; Mon, 12 Aug 1996 10:34:10 -0500 From: "Sheila Ash" Message-Id: <960812103832.ZM10910@192.160.145.25> Date: Mon, 12 Aug 1996 10:38:31 -0500 X-Mailer: Z-Mail 4.0 (4.0.0 Aug 21 1995) To: chemistry@ccl.net Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii subscribe Sheila Ash -- Sheila Ash Product Manager - Databases and Related Technologies Tripos Inc. 1699 South Hanley Road St Louis Missouri MO 63144 Tel: 314 647 1099 Fax: 314 647 9241 email: sash@tripos.com From jeanne@tc.cornell.edu Mon Aug 12 16:17:06 1996 Received: from theory.tc.cornell.edu for jeanne@tc.cornell.edu by www.ccl.net (8.7.5/950822.1) id PAA19773; Mon, 12 Aug 1996 15:34:50 -0400 (EDT) Received: from [128.84.181.75] (JEANNE.TC.CORNELL.EDU [128.84.181.75]) by theory.tc.cornell.edu (8.6.9/8.6.6) with SMTP id PAA59339; Mon, 12 Aug 1996 15:34:45 -0400 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Mon, 12 Aug 1996 15:44:41 -0500 To: chem-com@mailbase.ac.uk, listproc@msi.com, chemistry@www.ccl.net From: jeanne@TC.Cornell.EDU (Jeanne C. Butler) Subject: Biochemistry Applications Software Workshop Cc: jeanne@TC.Cornell.EDU Biochemistry Applications Software Workshop October 20 - 22, 1996 Cornell Theory Center Cornell University Ithaca, NY Registration deadline: September 6, 1996 The Cornell Theory Center (CTC), a nationally funded high-performance computing and communications center, is offering three days of lecture and laboratory sessions on some popular computational chemistry packages. A mix of software for electronic structure calculations and software for molecular dynamics modeling will be presented by the developers. There will be time for hands-on work with each code using the CTC's 512-processor IBM SP. This workshop will emphasize choosing the right software package for your application problem and using it effectively. Participants are expected to have some background theoretical knowledge of molecular mechanics, ab initio molecular orbital theory, and semi-empirical methods; prior experience with UNIX is highly desirable. The speakers Doug Fox, Gaussian, Inc.: Gaussian 94 Mark Gordon, Iowa State University: GAMESS Byron Lengsfield, IBM Almaden Research Center: Mulliken Rich Friesner, Columbia University & Schroedinger, Inc.: PS-GVB Akbar Nayeem, Tripos, Inc.: SYBYL Ping Yip, Molecular Simulations, Inc.: Discover, Insight, Affinity Who should attend ---------------------- This workshop is appropriate for faculty, postdocs, and graduate students interested in molecular modeling and electronic structure calculations. Professionals in the pharmaceutical, biomedical, and chemical industries may wish to attend. Although several of the codes run in parallel on the SP, no prior knowledge of parallel processing is required for this workshop. The facilities --------------- One half-day session will be devoted to each software package. Each talk will be followed by a hands-on session in CTC's training facility, giving all participants a chance to work with the software with help from the developer and CTC staff. The training facility is equipped with 44 IBM RS/6000 workstations and 12 SGI Indys. Further information ----------------------- For the latest detailed information on the agenda, the speakers, their software packages, and registration forms, see http://www.tc.cornell.edu/Edu/Upcoming/biochem.html. For additional information, or to obtain a hardcopy version of the Web site pages, please contact: Jeanne Butler jeanne@tc.cornell.edu On October 18, 1996, CTC will also offer a symposium on structural biology. See http://www.tc.cornell.edu/Events/oct96.symp.preannounce.html. From owner-chemistry@ccl.net Mon Aug 12 18:17:06 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id RAA20199; Mon, 12 Aug 1996 17:57:12 -0400 (EDT) Received: from tyr.herl.epa.gov for waller@tyr.herl.epa.gov by bedrock.ccl.net (8.7.5/950822.1) id RAA00067; Mon, 12 Aug 1996 17:57:12 -0400 (EDT) Received: by tyr.herl.epa.gov (940816.SGI.8.6.9/1.34) id RAA19901; Mon, 12 Aug 1996 17:57:13 -0400 Date: Mon, 12 Aug 1996 17:57:13 -0400 From: "Dr. Chris L. Waller" Message-Id: <199608122157.RAA19901@tyr.herl.epa.gov> To: CHEMISTRY@ccl.net Subject: unsubscribe unsubscribe waller@tyr.herl.epa.gov %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Chris L. Waller, Ph.D. Modeling Team Leader Pharmacokinetics Branch (MD-74) ETD/NHEERL/USEPA Research Triangle Park, NC 27711 PHONE 919-541-7976 FAX 919-541-5394 E-mail: waller@tyr.herl.epa.gov "Insert Standard Disclaimer Here" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%