From csc@imb-jena.de Wed Mar 5 06:27:17 1997 Received: from dali.imb-jena.de for csc@imb-jena.de by www.ccl.net (8.8.3/950822.1) id FAA03715; Wed, 5 Mar 1997 05:39:52 -0500 (EST) Received: by dali.imb-jena.de (951211.SGI.8.6.12.PATCH1502/951211.SGI/hsk) for CHEMISTRY@www.ccl.net id LAA04150; Wed, 5 Mar 1997 11:39:53 +0100 From: csc@imb-jena.de (Christoph Schneider) Message-Id: <199703051039.LAA04150@dali.imb-jena.de> Subject: subscribe To: CHEMISTRY@www.ccl.net Date: Wed, 5 Mar 1997 11:39:52 +0100 (MET) X-Mailer: ELM [version 2.4 PL25] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit -- Christoph Schneider csc@imb-jena.de Institut fuer Molekulare Biotechnologie Beutenbergstrasse 11, -Biocomputing- Tel.: +49-3641-65-6205 Postfach 100 813, D-07708 Jena, Germany Fax: +49-3641-609818 From ccl@www.ccl.net Wed Mar 5 08:27:16 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id IAA04600; Wed, 5 Mar 1997 08:10:19 -0500 (EST) Received: from hrz-fserv7.hrz.uni-kassel.de for gdanitz@hrz-serv1.hrz.uni-kassel.de by bedrock.ccl.net (8.8.3/950822.1) id IAA25006; Wed, 5 Mar 1997 08:10:15 -0500 (EST) Received: from hrz-serv1.hrz.uni-kassel.de (hrz-serv1.hrz.uni-kassel.de [141.51.192.30]) by hrz-fserv7.hrz.uni-kassel.de (8.8.5/8.8.5) with ESMTP id OAA36848 for ; Wed, 5 Mar 1997 14:10:14 +0100 Received: (from gdanitz@localhost) by hrz-serv1.hrz.uni-kassel.de (8.8.5/8.8.5) id OAA23727 for chemistry@ccl.net; Wed, 5 Mar 1997 14:10:13 +0100 From: Robert Gdanitz Message-Id: <199703051310.OAA23727@hrz-serv1.hrz.uni-kassel.de> Subject: Prog. to calc. rovibronic spectrum of diatomic needed To: chemistry@ccl.net (Computational Chemistry List) Date: Wed, 5 Mar 1997 14:10:13 +0100 (MEZ) X-Mailer: ELM [version 2.4 PL24 PGP3 *ALPHA*] MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit Dear Netters: Can anybody tell me where to get (free!) software to compute the rotational and vibrational spectrum of a diatomic molecule as well as spectroscopic constants (De, Re, omega_e, etc.) from a given potential energy surface by solving the Schroedinger equation for the nuclear motion ? It would be nice if the program would also be able to fit the usual primitive functions to a set of data points, but I could also use e.g. Mathematica for this. Thank You in advance! Regards, Robert -- +-----+ Robert J. Gdanitz email: gdanitz@hrz.uni-kassel.de | GhK | Gesamthochschule Kassel Tel.: +(49) 561-804-4120 | | Fachbereich 18 (Physik) Fax: +(49) 561-804-4006 +-----+ D-34109 Kassel, Germany From samford@picasso.chem.uab.edu Wed Mar 5 15:27:19 1997 Received: from picasso.chem.uab.edu for samford@picasso.chem.uab.edu by www.ccl.net (8.8.3/950822.1) id OAA08622; Wed, 5 Mar 1997 14:39:50 -0500 (EST) Received: from picasso (picasso.chem.uab.edu [138.26.72.15]) by picasso.chem.uab.edu (AIX4.2/UCB 8.7/8.7) with SMTP id NAA22496 for ; Wed, 5 Mar 1997 13:30:39 -0600 (CST) Sender: samford@picasso.chem.uab.edu Message-ID: <331DC9DF.446B@picasso.chem.uab.edu> Date: Wed, 05 Mar 1997 13:30:39 -0600 From: Morgan Ponder X-Mailer: Mozilla 3.0Gold (X11; I; AIX 2) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: SETCA 26 Content-Type: text/plain; charset=us-ascii; name="setca" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="setca" The 26th Southeast Theoretical Chemistry Association (SETCA) will meet on May 16 and 17, 1997, at the University of Alabama at Birmingham in Birmingham, Alabama. A block of rooms has been reserved at the Radisson Hotel Birmingham, located at 808 South 20th St., which is walking distance to the campus meeting site, the Hill University Center Room 412-413. The SETCA rate is $68 (+8% tax) for single or double occupancy, and is guaranteed until the end of April. Be sure to mention that you are attending SETCA. You must make your own reservations by calling the hotel directly at 205-933-9000 or by using the toll-free number 1-800-333-3333. The Radisson offers complementary transportation to the airport, and free parking in the parking deck for guests. We plan to roughly follow the traditional format of a mixture of talks and posters, with perhaps a panel discussion. An informal reception will also be held in the Hill University Center on Thursday night, May 15, from 6:00 to 9:30 p.m. A banquet will be held Friday night at 7:30 p.m. The registration fee is $20 and covers the cost of the banquet. Tickets for non-SETCA attendees (please give the names) are $15 if they wish to attend the banquet. Dinner reservations and checks (payable to UAB Department of Chemistry) should be mailed to Tracy Hamilton, Department of Chemistry, University of Alabama at Birmingham, Birmingham, AL, 35294-1240, and must be received by April 30. Registration can be done over the Web (http://sleeper.chem.uab.edu) or by mail at the address given above. The deadline for registration is also April 30. The list of participants who register by WWW will be on a list that is publicly available at the SETCA 26 Web site. The final program, and information on UAB and Birmingham, will be mailed in early May. If you are on the SETCA mailing list, you will also receive a hard copy of this notice through the mail. If you want to be added to or removed from the mailing list, send an email message to samford@picasso.chem.uab.edu. We hope to see you at SETCA 26, Tracy P. Hamilton, Morgan C. Ponder, and Kiet Nguyen March 4, 1997 From iiv@mmlrs1.pha.unc.edu Wed Mar 5 20:27:23 1997 Received: from mmlrs1.pha.unc.edu for iiv@mmlrs1.pha.unc.edu by www.ccl.net (8.8.3/950822.1) id TAA10168; Wed, 5 Mar 1997 19:35:12 -0500 (EST) Received: from localhost by mmlrs1.pha.unc.edu (AIX 3.2/UCB 5.64/TAS/11-16-88) id AA12167; Wed, 5 Mar 1997 19:14:18 -0500 Date: Wed, 5 Mar 1997 19:14:17 -0500 (EST) From: Computational Molecular Biology To: CHEMISTRY@www.ccl.net Subject: US-NC Bioinformatics - Sequence Analysis Position Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII The University of North Carolina at Chapel Hill has an immediate opening for a specialist in nucleic acid and protein sequence analysis to provide a leadership role in supporting the community of several hundred users of biocomputational tools. The successful candidate will organize courses for users, prepare documentation, and assist individual users with their sequence analysis problems. Development of publishable teaching materials or articles will be encouraged. Strong knowledge of DNA and protein sequence analysis algorithms and software is essential. Teaching experience and a background in laboratory molecular biology are highly desirable. The position requires excellent oral and written communication skills. Salary is in the range of $33-38K depending on the experience of the applicant. The University of North Carolina is an Equal Opportunity Employer. Applications or additional questions about this position may be sent via regular or email to: Philip Carl, Chair of the Search Committee 101 MBBRL, CB7100 UNC Medical School Chapel Hill, NC 27599-7100 Phone: (919)-966-3544 Fax: 919-966-6821 plc@med.unc.edu ====================================================================== Computational Resource for Molecular Sciences and Biotechnology at UNC http://mmlin4.pha.unc.edu/~cmb96/