From smillefiori@dipchi.unict.it Fri Jul 26 04:16:30 1996 Received: from ns.dipchi.unict.it for smillefiori@dipchi.unict.it by www.ccl.net (8.7.5/950822.1) id DAA07102; Fri, 26 Jul 1996 03:50:35 -0400 (EDT) Received: from millefiori.dipchi.unict.it ([151.97.236.168]) by ns.dipchi.unict.it (post.office MTA v1.9.3 ID# 0-11335) with SMTP id AAA167 for ; Fri, 26 Jul 1996 09:50:24 +0100 X-Sender: smillefiori@dipchi.unict.it X-Mailer: Windows Eudora Version 1.4.4 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: "Millefiori Salvatore" Subject: vibrational assignment Date: Fri, 26 Jul 1996 09:50:24 +0100 Message-ID: <19960726085023706.AAA167@millefiori.dipchi.unict.it> Hi, does anybody know references about experimental vibrational assignments of p-nitroaniline in gas and condensed phases ? Thanks to everyone. Andrea _______________________________________________________________________ Dr. Andrea Giovanni Alparone ________ ___ (c/o Prof. Salvatore Millefiori) \___ \_____/ / Dottorato di Ricerca Scienze Chimiche, \ _/ Univ. di Catania, Italia. \______ CT\ Address: Dipartimento Scienze Chimiche, \___\ Viale A. Doria,6- 95125 CATANIA, ITALIA. Phone: 39-95-330319 (334) E-mail: smillefiori@dipchi.unict.it _______________________________________________________________________ From busemann@chemie.uni-wuerzburg.de Fri Jul 26 10:16:32 1996 Received: from wrzx01.rz.uni-wuerzburg.de for busemann@chemie.uni-wuerzburg.de by www.ccl.net (8.7.5/950822.1) id JAA08785; Fri, 26 Jul 1996 09:53:30 -0400 (EDT) Received: from wocx04.chemie.uni-wuerzburg.de (wocx13.chemie.uni-wuerzburg.de) by wrzx01.rz.uni-wuerzburg.de (4.1/uniwue-M-3.2) id AA03977; Fri, 26 Jul 96 15:53:12 +0200 Received: by wocx04.chemie.uni-wuerzburg.de (940816.SGI.8.6.9/uniwue-C-3.0) id PAA08807; Fri, 26 Jul 1996 15:50:53 +0200 Date: Fri, 26 Jul 1996 15:50:53 +0200 (MDT) From: Stefan Busemann X-Sender: busemann@wocx13 To: chemistry@www.ccl.net Subject: Warning: RasMol 2.6 Mopac import-filter Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII !!! WARNING !!! Using the Mopac import-filter of the Molecule Visualizer Software RasMol 2.6 rasmol -mopac shows not the expected molecule but its ENANTIOMER! \\|// ( @ @ ) .---------------------oOOo----(_)----oOOo-----------------------------------. | Stefan Busemann | Institut fuer Organische Chemie | | Dipl.-Chem. | Computational Chemistry Group | | mail : busemann@chemie.uni-wuerzburg.de | Universitaet Wuerzburg | | voice: +49 0931/888-4750 | Am Hubland | | fax : +49 0931/888-4755 Oooo. | D-97074 Wuerzburg | | ( ) Oooo. | | .----------------------------\ (----( )-----------------------------------. \_) ) / (_/ From at@pico.pha.unc.edu Fri Jul 26 13:16:34 1996 Received: from pico.pha.unc.edu for at@pico.pha.unc.edu by www.ccl.net (8.7.5/950822.1) id MAA09611; Fri, 26 Jul 1996 12:34:45 -0400 (EDT) Received: by pico.pha.unc.edu (AIX 3.2/UCB 5.64/4.03) id AA11521; Fri, 26 Jul 1996 11:14:31 -0500 Newsgroups: bionet.molec-model,bionet.software Date: Fri, 26 Jul 1996 11:14:12 -0500 (CDT) From: Alex Tropsha Subject: ACS Course in Molecular Modeling: Methods and Techniques Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII The American Chemical Society Short Course Molecular Modeling: Methods and Techniques August 20-23, 1996 Laboratory for Molecular Graphics and Theoretical Modeling College of Pharmacy, University of Texas at Austin Twelve previous four-day "hands-on" short courses have been offered with over 275 registrants from diverse backgrounds in the chemical, biological, and biomedical fields of research and teaching. Each student will have their own Silicon Graphics workstation and access to desktop computers for the duration of the short course. There will be daily "hands-on" laboratory sessions so YOU can work with state-of-the-art hardware and software. Topics: Molecular Mechanics Calculations, Molecular Mechanics Parameterization, Quantum Mechanics Calculations, Conformational Searching, Drug Design, Pharmacophore Development, 3D Databases, 3D Searching Strategies, and Combinatorial Chemistry Concepts Who Should Attend? Anyone wanting to know more about molecular structure calculations, pharmacophore design, 3D database searching, and structure-function relationships. The course has been designed primarily for experimental scientists in industry or academics with a background in the chemical, biological, and/or biomedical sciences. Software: MM2/MM3, SYBYL, INSIGHT/DISCOVER, QUANTA/CHARMm, SPARTAN, ISIS, CONCORD, CAChe, and more Lecturers J. Phillip Bowen (University of Georgia) Norman L. Allinger (University of Georgia) Dennis Liotta (Emory University) Alex Tropsha (University of North Carolina) Warren Hehre (Wavefunction, Inc.) Bob Pearlman (University of Texas at Austin) Osman Guner (Molecular Design) Call the ACS Education Services/Short Course Office at (800) 227-5558 or (202) 872-4508 or FAX (202) 872-6336 From iiv@mmlds1.pha.unc.edu Fri Jul 26 13:27:15 1996 Received: from mmlds1.pha.unc.edu for iiv@mmlds1.pha.unc.edu by www.ccl.net (8.7.5/950822.1) id MAA09621; Fri, 26 Jul 1996 12:36:38 -0400 (EDT) Received: by mmlds1.pha.unc.edu (5.57/TAS/11-16-88) id AA00244; Fri, 26 Jul 96 12:47:55 -0400 Date: Fri, 26 Jul 1996 12:47:55 -0400 (EDT) From: Iosif Vaisman To: CHEMISTRY@www.ccl.net Subject: Computational Molecular Biology Workshop, October 15-19, 1996 Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII CAROLINA WORKSHOPS University of North Carolina at Chapel Hill Computational Molecular Biology October 15 - 19, 1996 This course is designed for scientists with limited prior experience in computational molecular biology. The topics to be covered include: biomolecular informatics and databases, protein and nucleic acid sequence analysis and alignment, 3D protein structure analysis and prediction, molecular modeling and dynamic simulations of proteins and nucleic acids, and structure-based drug design. The workshop will consist of the in-depth theoretical lectures and intensive hands-on laboratory sessions. CAROLINA WORKSHOPS are intensive hands-on courses designed to teach cutting edge methods in molecular biology and biotechnology. Four or five courses on different topics in molecular biology and/or biotechnology are offered each year. The courses are designed for novice students as well as for individuals with prior experience. All students benefit from in-depth interaction with instructors. To apply, send a curriculum vitae and a brief letter describing your research interests and their relevance to the Workshop. Applicants should contact the program office as soon as possible. Please indicate your complete mailing address and telephone/fax number. Application Deadline-September 7, 1996. Tuition - $ 1,200.00. Participation is limited to 15 people, please apply early. COURSE DIRECTOR: Alexander Tropsha, Ph.D., University of North Carolina at Chapel Hill INSTRUCTORS: Frank K. Brown (Glaxo-Wellcome) Alexander Tropsha (UNC-Chapel Hill) Wayne Litaker (UNC-Chapel Hill) Iosif I. Vaisman (UNC-Chapel Hill) David C. Richardson (Duke University) For further information or to apply, contact: Dr. Wayne Litaker, Facility Director University of North Carolina at Chapel Hill Program in Molecular Biology & Biotechnology 442 Taylor Hall CB 7100 Chapel Hill, North Carolina 27599-7100 TELEPHONE (919) 966-1730, FAX (919) 966-6821 E-MAIL litaker@med.unc.edu From owner-chemistry@ccl.net Fri Jul 26 18:16:36 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id RAA11166; Fri, 26 Jul 1996 17:41:14 -0400 (EDT) Received: from vystup.qf.ub.es for fermin@vystup.qf.ub.es by bedrock.ccl.net (8.7.5/950822.1) id RAA09206; Fri, 26 Jul 1996 17:41:12 -0400 (EDT) Message-Id: <199607262141.RAA09206@bedrock.ccl.net> Received: by vystup.qf.ub.es (1.37.109.4/16.2) id AA19169; Fri, 26 Jul 96 23:43:53 +0200 From: Fermin Huarte Larranaga Subject: suscribe To: chemistry@ccl.net Date: Fri, 26 Jul 96 23:43:53 METDST Mailer: Elm [revision: 70.85] I've been told that to suscribe to your mailing list all that I have to do is send a message with my references: Name: Fermin Huarte Organism: Dept of Chemical Phisics. University of Barcelona Spain Area of interest: Molecular Dynamics. Reaction Dynamics. Thanks a lot and I am looking forward to recieving your answer. *************************************************** * Fermin Huarte Larranaga * * e-mail: fermin@vystup.qf.ub.es * * web personal: http://blucher.qf.ub.es/fhl.html * ***************************************************