From h9290218@hkusub.hku.hk Thu May 11 06:20:24 1995 Received: from hkusub.hku.hk for h9290218@hkusub.hku.hk by www.ccl.net (8.6.10/930601.1506) id GAA04047; Thu, 11 May 1995 06:13:34 -0400 Received: from hkusua.hku.hk by hkusub.hku.hk (4.1/SMI-4.1) id AA00578; Thu, 11 May 95 18:18:44 HKT Received: by hkusua.hku.hk (5.0/SMI-SVR4) id AA27676; Thu, 11 May 1995 18:11:31 +0800 From: h9290218@hkusub.hku.hk (Danny Yau) Message-Id: <9505111011.AA27676@hkusua.hku.hk> Subject: MD program of binary hard sphere mixture To: chemistry@ccl.net Date: Thu, 11 May 1995 18:11:30 +0800 (HKT) Cc: h9290218@hkusub.hku.hk (Danny Yau) X-Mailer: ELM [version 2.4 PL21] Content-Type: text Content-Length: 550 Dear Netters: I am interested in studying the molecular dynamics of binary hard sphere mixtures. However, in Allen's text book, it just has a program of MD for pure component. Would anyone has ever studying this kind of mixtures? Would you please send me the program of MD binary hard sphere mixture for me to refer? It would be much appreciated. Thanks in advanced for any response. -- Danny Yau email: h9290218@hkuxa.hku.hk Department of chemistry, or h9290218@hkusub.hku.hk The university of Hong Kong. From E.WEZENBEEK@elsevier.nl Thu May 11 07:05:24 1995 Received: from relay.surfnet.nl for E.WEZENBEEK@elsevier.nl by www.ccl.net (8.6.10/930601.1506) id HAA04319; Thu, 11 May 1995 07:05:00 -0400 From: X400-Received: by /PRMD=surf/ADMD=400net/C=nl/; Relayed; Thu, 11 May 1995 12:44:14 +0200 X400-Received: by mta relay.surfnet.nl in /PRMD=surf/ADMD=400net/C=nl/; Relayed; Thu, 11 May 1995 12:44:14 +0200 X400-Received: by /PRMD=SURF/ADMD=400NET/C=NL/; converted (ia5-text); Relayed; Thu, 11 May 1995 11:27:39 +0200 Date: Thu, 11 May 1995 11:27:39 +0200 X400-Originator: E.WEZENBEEK@elsevier.nl X400-Recipients: non-disclosure:; X400-MTS-Identifier: [/PRMD=SURF/ADMD=400NET/C=NL/;G0000370311MAY199512273402] X400-Content-Type: P2-1984 (2) Content-Identifier: THEOCHEM Alternate-Recipient: Allowed Message-ID: To: chemistry@ccl.net Subject: THEOCHEM Dear members of the CCL list, I would like to draw your attention to some recent changes we established for THEOCHEM, our computational chemistry journal: - A completely new team of Editors was appointed: Professor Imre Csizmadia, University of Toronto Professor Clifford Dykstra, IUPUI, Indianapolis Professor Ian Hillier, University of Manchester Professor Jean-Louis Rivail, Univerisit Nancy I - The aims, scope and cover design have been updated. THEOCHEM now serves the whole area of theory and modelling in chemistry. - A reduction in publication time to six months. The new editors are trying to have papers refereed within 2 months, and by the end of 1995 Elsevier production time will be four months. It is our goal to let THEOCHEM become your key resource for obtaining information as well as the vehicle for publication of your best work. If you have questions on THEOCHEM, I will be able to give you more information on all of the above items. Elsevier plays an active role in the development of electronic products. We also have the technology to deliver (information related to) THEOCHEM in an electronic fashion. However, first we need to know what the market needs. Therefore we want to establish a direct link with researchers in the area by providing via email, for free, the Table of Contents of THEOCHEM issues before publication. If you are interested in participating in this project, please send me your email address. With kind regards, Egbert van Wezenbeek Publishing Editor ----------------------------------------------------------------- Dr. Egbert M. van Wezenbeek Publishing Editor Elsevier Science BV Chemistry & Chemical Engineering Department P.O. Box 330 1000 AH Amsterdam The Netherlands Phone: (+31-20) 485 2475 e.wezenbeek@elsevier.nl Fax: (+31-20) 485 2845 Elsevier WWW server: http://www.elsevier.nl Elsevier Gopher server: gopher.elsevier.nl ----------------------------------------------------------------- From valery-g@dcl.co.il Thu May 11 08:20:30 1995 Received: from actcom.co.il for valery-g@dcl.co.il by www.ccl.net (8.6.10/930601.1506) id IAA05679; Thu, 11 May 1995 08:18:00 -0400 Received: from dclpc by actcom.co.il with SMTP (8.6.12/actcom-0.1) id PAA27431; Thu, 11 May 1995 15:14:26 +0300 (rfc931-sender: dcl.co.il [192.114.194.1]) Received: from indigo2.dcl.co.il by dclpc (5.65/SMI-4.1) id AA15026; Thu, 11 May 95 14:40:34 +0100 Received: by indigo2.dcl.co.il (940816.SGI.8.6.9/SMI-4.1) id OAA12572; Thu, 11 May 1995 14:44:20 +0300 Date: Thu, 11 May 1995 14:44:20 +0300 From: valery-g@dcl.co.il (Dr. Golender Valery) Message-Id: <199505111144.OAA12572@indigo2.dcl.co.il> To: chemistry@ccl.net Subject: RMS Fits For Structures That Have Symmetry Cc: boris@dcl.co.il, valery@dcl.co.il, valery@actcom.co.il, gregory@wucmd.wustl.edu, graham@sentex.net, given@tiber.nist.gov Jim Given recently asked about calculation of 'RMS Fits For Structures That Have Symmetries'. It fact the same question was discussed on CCL in February when Dongchul Lim asked how one can tell if two conformers are the same. But I see from postings of Gregory Nikiforovich (Hi!) and Graham Hurst that discussion is open again. I already mentioned then that we developed a conformer clustering algorithm that takes into account molecular symmetry. This algorithm generates chemical graph automorphisms (atom mappings that preserve chemical structure) using an efficient algorithm based on graph potential method. This method generates very sensitive graph invariants that allow significantly reduce the number of possible permutations from the worst case of N! (as mentioned by Graham Hurst). For the graph potential method description see paper Golender V.E., Drboglav V.V., Rosenblit A.B. Graph potentials method and its applications for chemical information processing. J.Chem. Inform. Comput. Sci., 1981, v.21., No.4, 196-204 and book Golender V.E, Rozenblit A.B. Logical and Combinatorial Algorithms for Drug Design. Research Studies Press: UK (1983). Conformer clustering algorithm that incorporates checking of molecular symmetry is a part of Apex-3D system for drug design marketed by Biosym Technologies. The algorithm allows also selection of atoms only from "important" groups, as Gregory Nikiforovich wants to see. After my previous posting I got a number of requests for additional information about the algorithm. In order to make the information publicly available I will put it on WWW: http://www.dcl.co.il/conf_clust.html I will be able also to provide additional information on request. Sincerely, Valery Golender, Ph.D. Director, Chemical Software DCL Systems International Ltd 20 Galgalei Haplada St. POB 544 Herzlia 46105 ISRAEL Tel: + 972-9-584-684 Fax: + 972-9-543-917 E-mail: valery-g@dcl.co.il, valery@actcom.co.il From ipcakc@vigyan.iisc.ernet.in Thu May 11 08:35:28 1995 Received: from sangam.ncst.ernet.in for ipcakc@vigyan.iisc.ernet.in by www.ccl.net (8.6.10/930601.1506) id IAA05921; Thu, 11 May 1995 08:30:11 -0400 From: Received: from soochak.ncst.ernet.in (soochak.ncst.ernet.in [144.16.11.100]) by sangam.ncst.ernet.in (8.6.8.1/8.6.6) with ESMTP id SAA18334 for ; Thu, 11 May 1995 18:00:25 +0530 Received: from iisc.ernet.in (iisc.iisc.ernet.in [144.16.64.3]) by soochak.ncst.ernet.in (8.6.8.1/8.6.5) with SMTP id SAA21040 for ; Thu, 11 May 1995 18:00:02 +0530 Received: from vigyan.UUCP by iisc.ernet.in (ERNET-IISc/SMI-4.1) id AA10807; Thu, 11 May 95 18:04:43+0530 Received: by vigyan.iisc.ernet.in (smail2.3) id AA19017; 11 May 95 17:56:59 EST (Thu) To: CHEMISTRY@ccl.net Subject: Density of States calculation Date: 11 May 95 17:56:59 EST (Thu) Message-Id: <9505111756.AA19017@vigyan.iisc.ernet.in> Dear netters I would do some desity of states calculation on amorphous graphite and amorphous diamond. could anyone provide any reference in this regard. Thanking you in advance. Sumathy From bouyer@ext.jussieu.fr Thu May 11 08:50:28 1995 Received: from shiva.jussieu.fr for bouyer@ext.jussieu.fr by www.ccl.net (8.6.10/930601.1506) id IAA06240; Thu, 11 May 1995 08:46:29 -0400 Received: from idf.ext.jussieu.fr (idf.ext.jussieu.fr [134.157.81.129]) by shiva.jussieu.fr (8.6.10/jtpda-5.1) with ESMTP id OAA22612 for ; Thu, 11 May 1995 14:46:27 +0200 Received: from [134.157.11.12] by idf.ext.jussieu.fr (8.6.10/jtpda-4.0) with SMTP; Thu, 11 May 1995 14:46:24 +0200 X-Sender: bouyer@idf.ext.jussieu.fr Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Thu, 11 May 1995 14:49:25 +0100 To: chemistry@ccl.net From: bouyer@ext.jussieu.fr (Frederic BOUYER) Subject: CCL : ab-initio molecular dynamic software Dear Netters, I would appreciate if there is a possibility to obtain public or academic (eventually commercial) ab-initio molecular dynamic software for studying properties in liquids (ab-initio or DFT based methodology). Thank you in advance for any response. Frederic Bouyer Lab. d'Electrochimie et de Chimie Analytique, Paris, France bouyer@ext.jussieu.fr http://alcyone.enscp.jussieu.fr/ From howard_broughton@Merck.Com Thu May 11 11:20:37 1995 Received: from igw.merck.com for howard_broughton@Merck.Com by www.ccl.net (8.6.10/930601.1506) id LAA10025; Thu, 11 May 1995 11:08:54 -0400 Received: by igw.merck.com; Thu, 11 May 95 11:14:07 -0400 Message-Id: <9505111514.AA18913@igw.merck.com> Date: Thu, 11 May 1995 11:01:21 EST From: howard_broughton@merck.com (Howard Broughton) Subject: SUMMARY Helical Wheel/string-of-beads programs To: CHEMISTRY@ccl.net Content-Type: TEXT/PLAIN My original post requesting information on programs that can draw helical wheels and/or string-of-beads representations of proteins promised a summary, and in addition I have had a number of e-mails requesting one. One reply suggested RASMOL but although this produces a number of representations, at least the version I have seen was not able to produce these particular cartoons. Walter REIHER (WallyR@netcom.netcom.com) suggested the GCG package - this can do helical wheels. I have had a look at the manual and software but can't find the string-of-beads. Jacques-Antoine DURET (jduret@ujf-grenoble.fr) has a pascal program under development for drawing helical wheels, and stated that anyone who wanted to help develop it should write to him. His program is aimed especially at the G-protein coupled receptors. Wim VRANKEN (Wim.Vranken@rug.ac.be) had an answer from a similar query in a different newsgroup and suggested the program pSAAM from Tony Crofts at the University of Illinois. It's available on anonymous ftp from nemo.life.uiuc.edu The program draws (on a PC running WINDOWS) both helical wheels and string-of- beads representations ; it appears to be sold at a "shareware" price with a more fully-functional version available commercially at extra cost. If you want this program, you'll also need unzip and may need to get another program from uiuc to make pSAAM run (see the files that you extract from psaam.zip). Many thanks to everyone who replied. Tel : +44 1279 440 500 Howard B. Broughton Fax : +44 1279 440 390 Molecular Modelling E-mail : Howard_Broughton@merck.com Merck Sharp & Dohme Neuroscience Research Centre From HRUSAK@jh-inst.cas.cz Thu May 11 11:35:35 1995 Received: from uivt1.uivt.cas.cz for HRUSAK@jh-inst.cas.cz by www.ccl.net (8.6.10/930601.1506) id LAA10364; Thu, 11 May 1995 11:23:40 -0400 Received: from bob223.jh-inst.cas.cz ([147.231.28.65]) by uivt1.uivt.cas.cz (4.0/SONY-4.0MX) id AA01344; Thu, 11 May 95 17:21:53 +0200 Received: from BOB/MAILQUEUE by bob223.jh-inst.cas.cz (Mercury 1.20); 11 May 95 17:22:54 GMT+1 Received: from MAILQUEUE by BOB (Mercury 1.20); 11 May 95 17:22:23 GMT+1 From: "Dr. Jan Hrusak" Organization: Institute of Physical Chemistry To: chemistry@ccl.net Date: Thu, 11 May 1995 17:22:15 +0100 Subject: DFT basis set dependency Return-Receipt-To: "Dr. Jan Hrusak" Priority: normal X-Mailer: Pegasus Mail/Windows (v1.22) Message-Id: <203A4755A9@bob223.jh-inst.cas.cz> Hi all, I just found a recent article on the comparison of different DFT schemes with respect to the basis set extetion. It could by of particular interst to the broader community. Since it is published in J. Comp. Chem. it may not be known to all. The reference is: R.H. Hertwig W. Koch J. Comp. Chem. 16(5), 1995 576 I found the conclusions made very interesting Jan ---------------------------------------------------------------------------- Dr. Jan Hrusak ############################### J. Heyrovsky Institute of Physical Chemistry ## MEMOR ESTO CONGREGATIONIS ## Academy of Sciences of the Czech Republic ## TVAE QVAM POSSEDISTI ## Dolejskova 3, CZ-182 23 Prague 8 ## AB INITIO ## Czech Republic ############################### ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Phone: (0042 2) 66 05 3436 FAX: (0042 2) 858 2307 E-Mail: hrusak@jh-inst.cas.cz ---------------------------------------------------------------------------- From hcj@mazda.wavefun.com Thu May 11 12:35:30 1995 Received: from volvo.wavefun.com for hcj@mazda.wavefun.com by www.ccl.net (8.6.10/930601.1506) id MAA12510; Thu, 11 May 1995 12:34:16 -0400 Received: by volvo.wavefun.com (931110.SGI/930416.SGI) for chemistry@ccl.net id AA01436; Thu, 11 May 95 09:34:16 -0700 Received: from mazda.wavefun.com(198.147.95.6) by volvo via smap (V1.3) id sma001434; Thu May 11 09:33:50 1995 Received: by mazda.wavefun.com (931110.SGI/930416.SGI) for @volvo.wavefun.com:chemistry@ccl.net id AA27010; Thu, 11 May 95 09:33:41 -0700 Date: Thu, 11 May 95 09:33:41 -0700 From: hcj@mazda.wavefun.com (Harry C. Johnson) Message-Id: <9505111633.AA27010@mazda.wavefun.com> To: glee@chem0sun.calstatela.edu Cc: chemistry@ccl.net In-Reply-To: <9505110327.AA14047@chem0sun.calstatela.edu> (glee@chem0sun.calstatela.edu) Subject: Re: CCL:Spartan 3.0 command Reply-To: hcj@wavefun.com >>>>> "Ging" == Ging Lee 12-06-90 writes: Ging> Can someone please tell me how to go about simulating a Ging> thermodynamic annealling process using command available Ging> from Spartan 3.0 package. The system I want to minimize is Ging> a twelve units polystyrene oligomer. I have been using MM3 Ging> force field available from the package, but I want to take Ging> it one step further. I am not sure this is exactly what you want, but Spartan 4.0, the latest version, has five different methods for performing conformational analysis, including Monte Carlo and Genetic Algorithms, both or which are suitable for large flexible molecules such as your oligomer. I have, in fact, applied both methods to a ten unit polystyrene oligomer with good results. The conformational analysis package will allow you to use any of Spartan's three force fields, five semi-empirical methods including PM3(tm) for transition metals though you probably don't need them, ab initio if you have the compute resources, or even one of the externally interfaced packages such as Gaussian, Mulliken, or MM3 (the program, not just the force field). If you have any further questions, feel free to let me know. -Harry +-----------------------+--------------------------------------------+ |Harry C. Johnson | /--- ----\ /---/ ---\ ----- /---/ /| / | |Computational Chemist | \ / / / / / / / / / / | / | |Wavefunction Inc. | \ /---/ /---/ /---/ / /---/ / | / | |E-mail: hcj@wavefun.com|---/ / / / / \ / / / / |/ | +-----------------------+--------------------------------------------+ From antunez@chem.cinvestav.mx Thu May 11 14:35:30 1995 Received: from latina.chem.cinvestav.mx for antunez@chem.cinvestav.mx by www.ccl.net (8.6.10/930601.1506) id OAA15794; Thu, 11 May 1995 14:30:30 -0400 Received: by latina.chem.cinvestav.mx (5.x/SMI-SVR4) id AA01361; Thu, 11 May 1995 09:31:10 -0600 Date: Thu, 11 May 1995 09:31:10 -0600 From: antunez@chem.cinvestav.mx (Sandra Antunez) Message-Id: <9505111531.AA01361@latina.chem.cinvestav.mx> To: chemistry@ccl.net Subject: CCL: latinamerica Cc: antunez@chem.cinvestav.mx X-Sun-Charset: US-ASCII Dear netters: I am currently attempting to gather all latinamerican web or gopher sites in latinamerica related to chemistry. Please respond to my Email address at antunez@chem.cinvestav.mx. Thank you for your attention! Sandra Antunez Centro de Investigacion y de Estudios Avanzados del IPN Departamento de Quimica Mexico D.F. From kochw@argon.chem.TU-Berlin.DE Thu May 11 16:50:41 1995 Received: from mailgzrz.TU-Berlin.DE for kochw@argon.chem.TU-Berlin.DE by www.ccl.net (8.6.10/930601.1506) id QAA18517; Thu, 11 May 1995 16:38:15 -0400 Received: from argon.chem.TU-Berlin.DE by mailgzrz.TU-Berlin.DE with SMTP (PP); Thu, 11 May 1995 18:49:59 +0200 Received: by argon.chem.TU-Berlin.DE (AIX 3.2/UCB 5.64/4.03) id AA29345; Thu, 11 May 1995 18:14:14 +0200 From: kochw@argon.chem.TU-Berlin.DE (Wolfram Koch) Message-Id: <9505111614.AA29345@argon.chem.TU-Berlin.DE> Subject: qchem To: chemistry@ccl.net Date: Thu, 11 May 1995 18:14:13 +0200 (DFT) X-Mailer: ELM [version 2.4 PL23] Content-Type: text Content-Length: 917 Hi, we heard a lot of rumor about the Gaussian off-spin program called QCHEM. Can anyone - prefereably those in charge of QCHEM - provide some information, such as: what is it good for, where is it better than G9x, how much does it cost (very important...), where to get it from, any positive or negative experiences, for which platformns is it available, any GUI available, etc.. Please respond directly to me. Thanx, Wolfram -- _________________________________________________________________________ Prof. Dr. Wolfram Koch Institut fuer Organische Chemie, Sekr.C3 Technische Universitaet Berlin Strasse des 17.Juni 135, D-10623 Berlin Fon: +49 30 314 27870, Fax: +49 30 314 21102 e-mail: kochw@argon.chem.TU-Berlin.DE _________________________________________________________________________ From jerzy@tiger.jsums.edu Thu May 11 18:50:35 1995 Received: from tiger.jsums.edu for jerzy@tiger.jsums.edu by www.ccl.net (8.6.10/930601.1506) id SAA20431; Thu, 11 May 1995 18:36:59 -0400 Received: by tiger.jsums.edu (931110.SGI/930416.SGI.AUTO) for CHEMISTRY@ccl.net id AA09348; Thu, 11 May 95 17:34:51 -0500 Date: Thu, 11 May 95 17:34:51 -0500 From: jerzy@tiger.jsums.edu (Jerzy Leszczynski) Message-Id: <9505112234.AA09348@tiger.jsums.edu> To: CHEMISTRY@ccl.net Subject: Computational Chemistry Conference Dear Colleague: We are pleased to announce the 4th conference on CURRENT TRENDS IN COMPUTATIONAL CHEMISTRY. The symposium organized by Jackson State University will cover all areas of Computational Chemistry as well as Quantum Chemistry. The local host of the conference is US Army Engineer Waterways Experiment Station in Vicksburg. The meeting will be held at the Holiday Inn of Vicksburg (40 miles west from Jackson), Mississippi on November 3 & 4, 1995. The format consists of a series of plenary lectures and poster presentations on Friday and Saturday followed by a banquet on Saturday evening. In addition a welcoming reception and poster presentations are scheduled on Friday night. There will be talks covering applications as well as theory. We are planning to publish extended abstracts (up to 4 pages) of all invited talks and poster presentations. Original scientific contributions will be published in the special issue of the international journal "STRUCTURAL CHEMISTRY". The manuscripts should be submitted in triplicate upon the arrival at the registration desk. The submitted papers will follow the regular refereeing procedure. Enclosed are Announcement Poster, a registration form and a housing information. The deadline for registration and abstract submission is September 15, 1995. Sincerely, Jerzy Leszczynski Address:Jerzy Leszczynski, Jackson State University, Dept of Chemistry, 1400 JR Lynch St., Jackson, MS - 39217. Phone: (601) 973-3482 Fax: (601) 973-3674. E-Mail : jerzy2@iris5.jsums.edu. PROGRAM The program will include invited papers and contributed posters in all areas of Quantum and Computational Chemistry. INVITED SPEAKERS Martin Head-Gordon University of California Berkeley Kendall Houk University of California Los Angeles Andrew Komornicki Polyatomics Research Institute Alfred H.Lowrey Naval Research Laboratory Vincent B.McKoy California Institute of Technology William H.Miller University of California Berkeley Vincent Ortiz University of New Mexico Eiji Osawa Toyohashi University of Technology Paul v.R. Schleyer Universitat Erlangen-Nurnberg Isaiah Shavitt Ohio State University Jeffery Skolnick Scripps Research Institute John Stanton University of Texas at Austin Registration form: 4th Conference on CURRENT TRENDS IN COMPUTATIONAL CHEMISTRY NOVEMBER 3 & 4, 1995, Jackson, Mississippi 1. NAME: MAILING ADDRESS TELEPHONE: FAX: E-MAIL: 2. If you wish to present a poster, please indicate the title below. All abstracts are due September 15, 1995 (up to 4 pages in length, presenting author underlined, photo-ready quality, in duplicate) to ensure publication in the Conference Materials. TITLE: AUTHORS: 3. Conference materials, special issue of the "STRUCTURAL CHEMISTRY", banquet and reception fee, all meals from breakfast on Friday through dinner on Saturday, cofee and refreshments are included per paid participant. Make checks payable to : Conference on "Current Trends in Computational Chemistry" in accord with the fee structure listed below. Registration fee before September 15, 1995, $125.00 $------- Registration fee thereafter, $ 175.00 $------- Registration fee at student discount, $50.00 $------- 5. HOUSING: The organizers will not make housing reservations. In order to reserve a room at a special conference rate of $50.00-$60.00 per room call Holiday Inn of Vicksburg, 3330 Clay Street, Vicksburg, Ms-39180. Phone (601)636-4551, Fax:(601)636-4552. The reservation should be arranged with the Holiday Inn before October 15, 1995. I do ------- do not ------- plan to stay at the conference hotel. I do ------- do not ------- plan submit a paper to the special issue of "STRUCTURAL CHEMISTRY" ----------------- signature Please type all entries and return to Jerzy Leszczynski, Department of Chemistry, Jackson State University. P.O.Box 17910, Jackson, MS 39217. From valery@actcom.co.il Thu May 11 20:20:35 1995 Received: from actcom.co.il for valery@actcom.co.il by www.ccl.net (8.6.10/930601.1506) id UAA21549; Thu, 11 May 1995 20:10:52 -0400 Received: from p2.ta1.actcom.co.il by actcom.co.il with SMTP (8.6.12/actcom-0.1) id AAA05301; Fri, 12 May 1995 00:02:14 +0300 (rfc931-sender: p2.ta1.actcom.co.il [192.115.23.32]) Message-Id: <199505112102.AAA05301@actcom.co.il> X-Sender: valery@actcom.co.il X-Mailer: Windows Eudora Version 1.4.4 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Fri, 12 May 1995 00:00:54 +0300 To: chemistry@ccl.net From: valery@actcom.co.il (Valery Golender) Subject: Molecule Fits, Symmetry and WW Cc: valery-g@dcl.co.il Dear netters, I posted earlier today a message on CCL related to the calculation of 'RMS Fits For Structures That Have Symmetries'. I stated that >In order to make the information publicly available I will put it on >WWW: > >http://www.dcl.co.il/conf_clust.html It took some time to implement this intention, and a number of netters visited an empty site. Sorry for the inconvenience. Now it is working. Good luck to all web travelers, Valery Golender, Ph.D. Director, Chemical Software DCL Systems International Ltd 20 Galgalei Haplada St. POB 544 Herzlia 46105 ISRAEL Tel: + 972-9-584-684 Fax: + 972-9-543-917 E-mail: valery-g@dcl.co.il, valery@actcom.co.il valery@actcom.co.il From ahirasim@agr.kyushu-u.ac.jp Thu May 11 21:35:35 1995 Received: from nogakubu.agr.kyushu-u.ac.jp for ahirasim@agr.kyushu-u.ac.jp by www.ccl.net (8.6.10/930601.1506) id VAA22538; Thu, 11 May 1995 21:24:19 -0400 Received: from [133.5.200.49] (pestic3.ach.agr.kyushu-u.ac.jp [133.5.200.49]) by nogakubu.agr.kyushu-u.ac.jp (8.6.9+2.4W/3.4Wbeta3) with SMTP id KAA13683 for ; Fri, 12 May 1995 10:24:59 +0900 Message-Id: <199505120124.KAA13683@nogakubu.agr.kyushu-u.ac.jp> Date: Fri, 12 May 1995 10:27:34 +0900 To: chemistry@ccl.net From: ahirasim@agr.kyushu-u.ac.jp (Akinori Hirashima) X-Sender: ahirasim@nogakubu.agr.kyushu-u.ac.jp Subject: CCL:web for chemistry Return-Receipt-To: ahirasim@agr.kyushu-u.ac.jp MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-jp X-Mailer: Eudora-J(1.3.8.5-J13) Dear netters: I am currently attempting to gather all web or gopher sites related to chemistry. Please respond to my Email address at ahirasim@agr.kyushu-u.ac.jp. Thank you for your attention! ahirasim@agr.kyushu-u.ac.jp (Akinori Hirashima)