From rc_davis@srs.gov Tue Jul 6 05:35:08 1993 Date: Tue, 6 Jul 1993 09:35:08 -0400 (EDT) From: "Ricardo C. Davis" Subject: Re: Searching for books To: N_HUANG@UNHH.UNH.EDU Message-Id: On Mon, 5 Jul 1993 N_HUANG%UNHH.UNH.EDU@internet wrote: > Hi Netters: > Can someone outthere introduce me some good books about > "work station computer"? Any level will be fine. Thanks in advance! Get the book "High Performance Computing" by Kevin Dowd, published by O'Reilly & Associates (1993). Topics include: CPU and memory architecture for RISC workstations, optimizing compilers, timing and profiling programs, understanding parallelism, loop and memory reference optimizations, benchmarking and parallel computing and multiprocessing. This reference is not just for the software developer, but also for the person needing to make intelligent comparisons purchasing or evaluating workstations. You can contact O'Reilly & Associates at nuts@ora.com for more information. Ricardo C. Davis Internet: rc_davis@srs.gov Building 773-42A, SRTC/SCS, Westinghouse Savannah River Co. P.O. Box 616, Aiken, SC 29802 (803)725-5172 * Freedom is not the right to choose, freedom is the result of wise choices. From bishop@lisboa.ks.uiuc.edu Tue Jul 6 04:58:40 1993 From: Tom Connor Bishop Message-Id: <9307061458.AA06234@lisboa.ks.uiuc.edu> Date: Tue, 6 Jul 93 09:58:40 -0500 To: chemistry@ccl.net Subject: workstation books IF you plan on using a workstation let me add that in addition to knowing your algorithms as previously ref'd in another posting you can also benefit from becoming a unix expert. It's essential if you plan on utilizing your computer efficiently, and saving yourself a lot of time. One of the most fundamental books on UNIX is "the unix programming environment" by kernighan and pike if you work through even the first several chapters you will be greatly rewarded you should also get kernighan and richie's book on C programming if you plan on programming in C. again time working in this book is well spent. --- Thomas Connor Bishop +-------------------------------------------------------------------- |Theoretical Biophysics bishop@lisboa.ks.uiuc.edu |Beckman Institute Tel: (217)-244-1851 |University of Illinois home: (217)-367-4095 |405 N Mathews, Urbana, IL61801 NeXTmail Ok +-------------------------------------------------------------------- From reinert@VAX.MPIZ-KOELN.mpg.d400.de Tue Jul 6 21:32:04 1993 Date: Tue, 6 Jul 1993 19:32:04 +0200 From: reinert@vax.mpiz-koeln.mpg.d400.de Message-Id: <12*/S=reinert/OU=VAX/O=MPIZ-KOELN/PRMD=MPG/ADMD=dbp/C=de/@MHS> To: chemistry@ccl.net Subject: RE: Information Sources for the "Beginner" Charles Letner asked about Information Sources for the "Beginner". I found the REVIEWS IN COMPUTATIONAL CHEMISTRY (Lipkowitz, K.B.; Boyd, D.B.), Volumes 1-4, VCH very useful. They provide basic information for chemists and biochemists. Interesting Textbooks are: - J.A. McCammon & S. Harvey: Dynamics of proteins and nucleic acids (Cambridge University Press, 1987) - U. Burkert & N.L. Allinger: Molecular Mechanics (ACS Monograph 177, 1982) - M.P. Allen & D.J. Tildesley: Computer Simulation of Liquids (Clarendon Press Oxford, 1987) - G.M.Crippen & T.F. Havel: Distance Geometry and Molecular Conformationn (Research Studies Press LTD, 1988) - T. Clark: A Handbook of Computational Chemistry (John Wiley & Sons, 1985) - A.M. Lesk: Protein Architecture (Oxford University Press, 1991) Interesting Reviews: _ W.F. van Gunsteren & H.J.C.Berendsen, Angew. Chem., 29, 992 (1990). Computer Simulation of Molecular Dynamics: Methodology..... - W.F. van Gunsteren & A.E. Mark, Eur.J. Biochem., 204 (1992), pp 947-961. On the interpretation of biochemical data by Molecular Dynamics Computer Simulation For those interested in nucleic acids: - E. von Kitzing, Methods in Enzymology, vol.221 (1992). Modeling DNA Structures: Molecular Mechanics and Molecular Dynamics Happy Reading, Peter Reinert (ZWDV), Max-Planck-Institut fuer Zuechtungsforschung, Carl-von-Linne-Weg 10, 50829 Koeln, Germany Phone: ++49/221/5062-539 or -538 or -537, FAX: ++49/221/5062-513 "reinert@vax.mpiz-koeln.mpg.d400.de" From carlos@pap.chem.uic.edu Tue Jul 6 05:46:30 1993 Date: Tue, 6 Jul 93 10:46:30 CDT From: Carlos Simmerling Message-Id: <9307061546.AA27506@pap.chem.uic.edu> To: chemistry@ccl.net Subject: MOIL bug fix Dear MOIL users, A bug was found (and corrected) in cdie.f that resides in the pot directory (moil.src.006/pot). In the anonymous ftp site (128.248.186.70) you may find a corrected version of the cdie.f file. A new moil.006.tar.Z file was also installed and it no longer has this bug. Once you replace the old cdie.f by the new one you need to remake the code. Ron Elber ron@pap.chem.uic.edu From dave@carbon.chem.csiro.au Wed Jul 7 04:59:46 1993 Message-Id: <199307062359.AA07101@shark.mel.dit.csiro.au> Date: Wed, 7 Jul 93 09:59:46 EST From: (Dr.) Dave Winkler Subject: 10th European QSAR Conference (forwarded) To: chminf-l@iubvm.ucs.indiana.edu, chemistry@ccl.net I am forwarding the following message on behalf of the conference organizers. Please contact them regarding the meeting as I know nothing more than is in the announcement. >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> P r e l i m in a r y A n n o u n c e m e n t 10th EUROPEAN SYMPOSIUM ON STRUCTURE-ACTIVITY RELATIONSHIPS: QSAR AND MOLECULAR MODELLING September 4-9, 1994 BARCELONA - SPAIN The symposium will cover the following areas: * Classical QSAR * Molecular Modelling (special emphasis on its application to drug design) * Chemometrics * Molecular Similarity * Computational Tools (including a commercial exhibition) Location -------- Hotel Feria Palace on Montjuic Mountain in Barcelona, near the Olympic Area. Contact address --------------- Prof. Ferran Sanz Institut Municipal d'Investigacio Medica carrer Dr. Aiguader, 80 E-08003 Barcelona (SPAIN) Fax : +34 3 2213237 E-mail : QSAR10@IMIM.ES -------------------------------------------------------------- If you are interested in receiving the First Circular, please fill-in and send the following. Family Name . . . . . . . . . . . . . . . . . . . . . . . . . . First Name . . . . . . . . . . . . . . . . . . . . . . . . . . Company or Institution . . . . . . . . . . . . . . . . . . . . Address . . . . . . . . . . . . . . . . . . . . . . . . . . . . Postal (or Zip) Code . . . . . . . City . . . . . . . . . . . Country . . . . . . . . . . . . . . . . . . . . . . . . . . . . Telephone . . . . . . . . . . . . . . . . . . . . . . . . . . . Telefax . . . . . . . . . . . . . . . . . . . . . . . . . . . . E-mail . . . . . . . . . . . . . . . . . . . . . . . . . . . . >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> END OF FORWARDED MESSAGE Cheers, Dave __________________________________________________________________________ Dr. David A. Winkler Voice: 61-3-542-2244 Principal Research Scientist Fax: 61-3-543-8160 CSIRO Division of Chemicals and Polymers Private Bag 10 Clayton, Australia. "Life is what happens to you while you're making other plans"