From msrag@csv.warwick.ac.uk Wed Jun 2 14:52:54 1993 Date: Wed, 2 Jun 1993 13:52:54 +0100 From: Dr D Buttar Message-Id: <10497.199306021252@violet.csv.warwick.ac.uk> To: chemistry@ccl.net Subject: Gamess Graphics Has anyone installed the graphic programms that are available with GAMESS(Iowa State) on a HP735 or any HP machine. Any help with the necessary modifications would be much appreciated. David Buttar. From chp1aa@surrey.ac.uk Wed Jun 2 11:48:42 1993 From: Mr Andrew D Allen Message-Id: <9306021405.AA16663@central.surrey.ac.uk> Subject: Electron density maps on a PC To: chemistry@ccl.net Date: Wed, 2 Jun 93 15:05:17 BST Dear All, This is deliberatly left general as I haven't got the full details of what a friend of mine is looking for. The basics are the display of charge or "electron density" maps on a PC. Andy. From lwalsh@nemo.life.uiuc.edu Wed Jun 2 05:38:08 1993 Date: Wed, 2 Jun 93 10:38:08 -0500 From: lwalsh@nemo.life.uiuc.edu (Laura L. Walsh) Message-Id: <9306021538.AA02228@nemo.life.uiuc.edu> To: chemistry@ccl.net Subject: Annotated PDB Directory The most recent version of my annotated list of PDB files is now available for anonymous ftp from www.ccl.net in the directory /pub/chemistry/pdbdoc as the file pdb_file_list.jan.93 (216426 bytes). This file contains condensed information about the available X-ray structures and their quality. The file seq_groups.jan.93 (56033 bytes) is also present in the same directory. This file was obtained by running the BLAST program on the whole PDB database (including prerelease entries) to detect homologies between protein sequences. The details on the contents of the files and methodology are given at the beginning of each file. The files are available from anonymous ftp: ftp www.ccl.net (or ftp 128.146.36.48) Login: anonymous Passwd: kekule ftp> cd /pub/chemistry/pdbdoc ftp> get pdb_file_list.jan.93 ftp> seq_groups.jan.93 ftp> quit Laura Walsh Laura Lynn Walsh (lwalsh@nemo.life.uiuc.edu) (217) 244-2894 Beckman Inst., Univ. of IL * 405 N. Mathews Ave. * Urbana, IL 61801, USA From jtgolab@amoco.com Wed Jun 2 07:28:39 1993 Date: Wed, 2 Jun 1993 12:28:39 -0500 From: jtgolab@amoco.com Message-Id: <9306021728.AA14451@vacc47.nap.amoco.com> To: chemistry@ccl.net Subject: SECOND CALL FOR PAPERS & POSTERS SECOND SECOND SECOND SECOND SECOND SECOND ******* ANNOUNCEMENT ANNOUNCEMENT ******* SECOND SECOND SECOND SECOND SECOND SECOND -------------------------------------------------------------------- Theoretical and Computational Approaches to Interface Phenomena August 2-4, 1993 South Dakota State University Amoco Chemical Company _______________________________________________________ South Dakota State University and Amoco Chemical Company will host a three day conference on Theoretical and Computational Approaches to Interface Phenomena August 2-4 1993 at South Dakota State Univeristy in Brookings, South Dakota. Speakers from academia and industry will discuss topics at the forefront of this field such as modeling catalysis, thin organic films, metals, and surfaces, surface diffusion, metal/electrolytic solution interfaces, and interactions with biological surfaces. The presentations will relate new software methodologies and theoretical techniques, present comparisons between methods or parameterization schemes, and share computational strategies. The conference will provide ample time for participants to interact with the speakers and talk to third party software vendors. A reception and registraton will be held Sunday evening, August 1 between 7 and 10 pm at the Holiday Inn of Brookings. Presentations will begin Monday morning August 2 at 8:30 am. All participants are encouraged to present a paper during the poster session on the night of August 2. Negotiations are currently underway for the publication of the conference proceedings as a hardback book. Speakers will contribute a chapter to the conference book and participants presenting posters can contribute a research summary. All presenters will be invited to contribute an abstract of their presentation for inclusion in a book of abstracts that will be distributed at the start of the conference. The conference will adjourn at 4:30 pm on Wednesday August 4. The current list of confirmed speakers is: Max Berkowitz, University of North Carolina, Chapel Hill Jimmie Doll, Brown University Michael Klein, University of Pennsylvania Ezequiel Leiva, Universidad Nacional de Cordoba, Argentina Michael N. Liebman, Amoco Technology Company Michael Philpott, IBM, San Jose Dennis Salahub, Universidad de Montreal, Canada Harrell Sellers, South Dakota State University Yitzhak Shnidman, Eastman-Kodak Evgeny Shustorovich, Eastman-Kodak Donald Truhlar, University of Minnesota Registration is required. Sponsors for this conference are South Dakota State University, Amoco Chemical Company, Cray Research, Inc., Eastman-Kodak, and IBM. 8<-------------------------- CUT HERE --------------------------->8 Registration Form To register to attend the conference and/or give an oral or poster presentation please complete this form. Please type or print. Give your name as you would like it to appear on your name badge. Dr.___ Mr.___ Ms.___ ______________________________________________ Address: ______________________________________________ ______________________________________________ ______________________________________________ ______________________________________________ ______________________________________________ Telephone: ________________________ FAX: ________________________ Electronic Mail Address: ____________________________________________ I will __attend the conference __give an oral presentation __give a poster. Title of presentation: __________________________________________________ _________________________________________________________________________ _________________________________________________________________________ Abstracts received after July 2, 1993 cannot be in the book of abstracts. Registration Fee: The conference registration fee is $40 for undergraduate and graduate students and postdocs; $175 for academic staff (faculty or scientific); $370 for industrial scientists. This fee includes a reception the evening of August 1 at the Brookings Holiday Inn, a reception the evening of August 2 during the poster session, a conference banquet the evening of August 3, and the abstract booklet. Please note: Reserving a hardbound copy of the conference book will require an additional fee that will depend on the total number of books reserved and the length of the book. We anticipate that the hardbound conference book will cost about $50. I am __an undergradate student __a graduate student __a postdoc __a university faculty member __a scientific staff member __an industrial scientist and enclose a check made payable to South Dakota State University in the amount of $_______. ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Return completed registration forms and abstracts to either: Dr. Harrell Sellers or Dr. Joseph T. Golab Department of Chemistry Amoco Chemical Company South Dakota State University PO Box 3011 M/C C-6 Brookings, SD 57007 Naperville, IL 60566 Tel: (605) 688-6374 (708) 961-7878 Fax: (605) 688-5822 (708) 420-4678 Email: hsellers@ncsa.uiuc.edu jtgolab@nap.amoco.com Space is limited. Please register before July 2, 1993. 8<-------------------------- CUT HERE --------------------------->8 Theoretical and Computational Approaches to Interface Phenomena Conference General Information August 2-4, 1993 Hotel Information A block of rooms has been reserved at the Holiday Inn of Brookings. The special conference rate is $46.00 single and $50.00 double to quad occupancy plus tax of 6%. The phone number for the Holiday Inn of Brookings is (605) 692-9471. A Best Western, which is across the highway from the Holiday Inn, is within easy walking distance. The Best Western phone number is (605) 692-9421. To assure availability and special rates rooms should be reserved by July 2, 1993. Travel Information The Brookings Airport has commercial airline commuter service from Minneapolis operated by the G P Express Airline Company, (605) 692-6818. Flights directly into Brookings are easy to obtain, but they must connect through Minneapolis. If this is not convenient, commercial air service to Sioux Falls, South Dakota is recommended. Conveyance Vans operates a shuttle service that runs between Sioux Falls and Brookings with 'door-to-door' service. The shuttle service runs according to passengers' flight schedules. Conveyance Vans can be reached at (605) 692-2236. Cars can also be rented at the Sioux Falls airport. Flying into Brookings via Minneapolis is usually more economical than flying into Sioux Falls and driving to Brookings by car if your point of origin is southeast of Brookings. SECOND SECOND SECOND SECOND SECOND SECOND ******* ANNOUNCEMENT ANNOUNCEMENT ******* SECOND SECOND SECOND SECOND SECOND SECOND From jle@world.std.com Wed Jun 2 13:21:17 1993 Date: Wed, 2 Jun 1993 17:21:17 -0400 From: jle@world.std.com (Joe M Leonard) Message-Id: <199306022121.AA09624@world.std.com> To: chemistry@ccl.net Subject: 8-bit color X server for Macintosh Is anybody aware of a product that allows a Mac with an ethernet card to act as an 8-bit color X terminal? Also, what communication software's required to make it work? Joe Leonard jle@world.std.com From dave@carbon.chem.csiro.au Thu Jun 3 07:01:26 1993 Message-Id: <199306030201.AA12706@shark.mel.dit.csiro.au> Date: Thu, 3 Jun 93 12:01:26 EST From: (Dr.) Dave Winkler Subject: SO, SO2, OSO2 molecular mechanics params To: chminf-l@iubvm.ucs.indiana.edu, chemistry@ccl.net Dear Netters, I'm working with some aromatic methane sulfonates, sulfones and sulfoxides. Does anyone have MM force field parameters for these types of functional groups (in particular, torsional potentials). I'm working in Sybyl so parameters in that form would be particularly useful. 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" From raman@bioc01.uthscsa.edu Wed Jun 2 16:37:16 1993 From: raman@bioc01.uthscsa.edu (C.S.RAMAN) Message-Id: <9306030237.AA01444@bioc01.uthscsa.edu> Subject: Re: 8-bit color X server for Macintosh To: jle@world.std.com (Joe M Leonard) Date: Wed, 2 Jun 1993 21:37:16 -0500 (CDT) > Is anybody aware of a product that allows a Mac with an ethernet card > to act as an 8-bit color X terminal? Also, what communication software's > required to make it work? > Well, there is! It is called MacX and was reviewed a couple of months ago in "SUN WORLD" and "OPEN SYSTEMS TODAY" as well. I haven't tried it myself, since we mostly use PC's, but I am in the process of establishing a private network that will involve some macs; I am told is quite good! Give me a buzz in a few weeks and I can tell you more. -- C.S.Raman raman@bioc01.uthscsa.edu - Internet UNIX Programming & Administration 70412.2354@compuserve.com - CIS SPARC & SGI Systems raman@hermes.chpc.utexas.edu - CHPC Department of Biochemistry craman@launchpad.unc.edu 7703 Floyd Curl Dr. (210) 567-6623 [Tel] San Antonio, TX 78284-7760 (210) 567-6595 [Fax] ****************************************************************************** All Science is either Physics or stamp collecting -E.Rutherford ******************************************************************************