From LIN@ubaclu.unibas.ch Thu Jan 23 06:18:11 1997 Received: from balu.urz.unibas.ch for LIN@ubaclu.unibas.ch by www.ccl.net (8.8.3/950822.1) id FAA27976; Thu, 23 Jan 1997 05:56:59 -0500 (EST) Received: from ubaclu.unibas.ch by ubaclu.unibas.ch (PMDF V4.3-7 #7496) id <01IEJUQJ2IQ88XBCQ8@ubaclu.unibas.ch>; Thu, 23 Jan 1997 11:56:19 +0100 Date: Thu, 23 Jan 1997 11:54:15 +0100 From: Shu-Kun Lin Subject: CCL:What is EXACTLY a "resonance"? To: chemistry@www.ccl.net Message-id: <01IEJV7L6LY48XBCQ8@ubaclu.unibas.ch> Organization: University of Basel, Switzerland MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear CCLers, "What is EXACTLY a "resonance"?"is a very good question. Let's go on a little bit. The whole book of Pauling's The Nature of the Chemical Bond is about this concept. Pauling's definition is based on Heisenburg's definition. To my understanding, also as implied in von Newmann's "Mathematical Foundation of Quantum Mechanics", respnance is a dynamic process of mixing quantum states which can happen in an equilibrium state (time-independent) of a molecular or atomic system. Normally resonance happends among energetically identical and in many cases configurationally identical quantum states. If you think this problem deeply, there is a big problem never solved so far: why a quantum system spontaneously resonances among several states? What is the driving force? Energy minimization (based on what kind of electromagnetic interaction?), or entropy maximization (based on what kind of formula of entropy of mixing of quantum states?)? I tried to understand why resonance. The explanation of resonance phenomena can be done if some more foundamental problem is solved. I tried a lot lonely so far and almost lost my job because I spent too much time on it. Interested colleagues may obtain a couple of papers published last year by me and they are downloadable from www.mdpi.org/lin.htm Shu-Kun --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland MDPI: www.mdpi.org/ Molecules: www.mdpi.org/molecules/ ECSOC-1: www.mdpi.org/ecsoc-1.htm e-mails: Lin@ubaclu.unibas.ch Lin@mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- From alain.kessi@psi.ch Thu Jan 23 09:18:19 1997 Received: from psizi1.psi.ch for alain.kessi@psi.ch by www.ccl.net (8.8.3/950822.1) id IAA28734; Thu, 23 Jan 1997 08:37:28 -0500 (EST) Received: from localhost by psizi1.psi.ch (AIX 3.2/UCB 5.64/4.03) id AA19731; Thu, 23 Jan 1997 14:37:29 +0100 Sender: kessi@psizi1.psi.ch Message-Id: <32E76999.4487@psi.ch> Date: Thu, 23 Jan 1997 14:37:29 +0100 From: Alain Kessi Organization: Paul Scherrer Institut, Zuerich, Switzerland X-Mailer: Mozilla 3.0 (X11; I; AIX 2) Mime-Version: 1.0 To: Shu-Kun Lin Cc: CCL Computational Chemistry List Subject: Re: CCL:What is EXACTLY a "resonance"? References: <01IEJV7L6LY48XBCQ8@ubaclu.unibas.ch> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Shu-Kun Lin wrote: >If you think this problem deeply, there is a > big problem never solved so far: why a quantum system > spontaneously resonances among several states? What is the > driving force? Energy minimization (based on what kind of > electromagnetic interaction?), or entropy maximization > (based on what kind of formula of entropy of mixing of quantum > states?)? I rather thought there was no secret to that, the matter being simply that the states you're looking at are not eigenstates of your hamiltonian and therefore the hamiltonian has non-diagonal elements. Hence the states couple, and there is a way to lower the energy by taking linear combinations of those states. Of course, in most cases, you will still not get the energy minimum (you can only scan the subspace spanned by the states you put in), but still, you can get a better approximation than the states you are currently looking at. A classic example is the ammonia (NH3) maser, which can be described by a potential with respect to the N position which has two equal energy minima, separated by a wall of some given height. The minima correspond to some pyramid and its mirror image. These two states, however, are not eigenstates of the hamiltonian. If you write down the energy matrix (2 by 2 in this case) in the subspace they span, it's not diagonal, which means that by diagonalizing the hamiltonian you'll find a state with lower energy (and one with higher energy, accordingly). Alain -- Alain Kessi (alain.kessi@psi.ch), at Paul Scherrer Institut, Zurich ++++ stop the execution of Mumia Abu-Jamal ++++ ++++ if you agree copy these 3 sentences in your own sig ++++ ++++ see: http://www.xs4all.nl/~tank/spg-l/sigaction.htm ++++ From F.Schouren@Uni-Koeln.DE Thu Jan 23 10:18:16 1997 Received: from rs3.rrz.Uni-Koeln.DE for F.Schouren@Uni-Koeln.DE by www.ccl.net (8.8.3/950822.1) id JAA29295; Thu, 23 Jan 1997 09:49:23 -0500 (EST) Received: (from acp21@localhost) by rs3.rrz.Uni-Koeln.DE (8.8.4/8.8.4) id PAA110902; Thu, 23 Jan 1997 15:49:04 +0100 Date: Thu, 23 Jan 1997 15:49:04 +0100 (MET) From: Frank Schouren To: "Comp. Chem. Mailing List" Subject: Probl. with CASSCF: Where are the CSF's? Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, the output file of my GAUSSIAN94 CASSCF(10,9)-calculation on diatomics tells me, that there are 5290 configuration state functions, but it does not show them in detail. Instead it says: "NOTE: configs are not shown in a direct CI Matel calc, unless iop(43) eq 2" I think, that i've got to change the route section of the job, but i don't know how to do it. Thanks in advance for your help. e-mail: F.Schouren@Uni-Koeln.de From LIN@ubaclu.unibas.ch Thu Jan 23 12:18:17 1997 Received: from yogi.urz.unibas.ch for LIN@ubaclu.unibas.ch by www.ccl.net (8.8.3/950822.1) id LAA29963; Thu, 23 Jan 1997 11:31:29 -0500 (EST) Received: from ubaclu.unibas.ch by ubaclu.unibas.ch (PMDF V4.3-7 #7496) id <01IEK6R9TVGG8XBZ9N@ubaclu.unibas.ch>; Thu, 23 Jan 1997 17:30:45 +0100 Date: Thu, 23 Jan 1997 17:29:18 +0100 From: Shu-Kun Lin Subject: What is EXACTLY a "resonance"? To: chemistry@www.ccl.net Message-id: <01IEK6W7S2J88XBZ9N@ubaclu.unibas.ch> Organization: University of Basel, Switzerland MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear colleagues: There is no clear division between a resonance and a chemical reaction e.g., the so-called "degenerate reaction" (NH3 masser is a perfect example. If it is NR3, where R is big groups, its a reaction: if it is NR'R"R"' where the three groups are all different, the process is a typical and well-known chemical reaction process - racemization!). All the chemical processes, according to thermodynamics, are driven by either energy or entropy effect. Then the problem is still a big one. Coulombic integral is very clearly understandable. Its sister term, the resonance term contributed to energy eigenvalues is by no means clear, even though there is no special computational problem about it. (Reply to the comment of Alain Kessi (alain.kessi@psi.ch)) Shu-Kun LIN@ubaclu.unibas.ch From berriz@chasma.harvard.edu Thu Jan 23 12:24:37 1997 Received: from chasma.harvard.edu for berriz@chasma.harvard.edu by www.ccl.net (8.8.3/950822.1) id LAA00232; Thu, 23 Jan 1997 11:57:25 -0500 (EST) Received: by chasma.harvard.edu (AIX 3.2/UCB 5.64/4.03) id AA19303; Thu, 23 Jan 1997 11:57:49 -0500 Date: Thu, 23 Jan 1997 11:57:49 -0500 From: berriz@chasma.harvard.edu (Gabriel Berriz) Message-Id: <9701231657.AA19303@chasma.harvard.edu> To: chemistry@www.ccl.net Subject: Quanta on AlphaStation clones? Dear netters: Our lab is (still!) in the process of overhauling its computer equipment. We are trying to decide between SGI and Alpha workstations (or, more precisely, AlphaStation clones). By far, the greatest fraction of our lab computers' CPU cycles are devoted to running our (in-house written) number crunching programs; this makes the Alpha clones more attractive, since they give us more number crunching power per buck. However, occasionally some of us need to visualize molecules with Quanta, and therefore strongly prefer the SGI alternative, even if Quanta takes up only a minuscule fraction of our total CPU load. Therefore, I would appreciate to hear about the experiences of anyone out there running Quanta on an Alpha 21164 chip (we're considering either 433 or 500 Mhz). Do you require and/or recommend any special graphics hardware (e.g. graphics card or monitor)? How good are the Quanta graphics? In particular, is the mouse-driven rotation of molecules quick and smooth to the eye, or is it lagging and jerky? I would appreciate any comments pertinent to the high-end graphics possibilities of Alpha clones. Thank you very much advance. Gabriel Berriz berriz@chasma.harvard.edu Department of Chemistry and Chemical Biology Harvard University From rmuller@rcf.usc.edu Thu Jan 23 13:18:17 1997 Received: from usc.edu for rmuller@rcf.usc.edu by www.ccl.net (8.8.3/950822.1) id MAA00484; Thu, 23 Jan 1997 12:28:46 -0500 (EST) Received: from chem2.usc.edu (chem2.usc.edu [128.125.253.153]) by usc.edu (8.8.4/8.7.2/usc) with ESMTP id JAA04123 for ; Thu, 23 Jan 1997 09:28:50 -0800 (PST) Received: from chem2.usc.edu (localhost.usc.edu [127.0.0.1]) by chem2.usc.edu (8.7.6/8.7.3/usc) with SMTP id JAA20119 for ; Thu, 23 Jan 1997 09:28:48 -0800 Sender: rmuller@chem2.usc.edu Message-ID: <32E79FD0.167E@rcf.usc.edu> Date: Thu, 23 Jan 1997 09:28:48 -0800 From: "Richard P. Muller" Organization: University of Southern California X-Mailer: Mozilla 3.01Gold (X11; I; AIX 2) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Java Chemistry Page References: <01IEJV7L6LY48XBCQ8@ubaclu.unibas.ch> <32E76999.4487@psi.ch> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit I posted a message earlier this week asking for references to Java utilities on the net, and have received many helpful replies. I have created a web page, http://www-rcf.usc.edu/~rmuller/java.html, to help chemists develop and use their own Java applications. I have included some basic sites, links to a Java tutorial, links to other chemistry sites, and a few simple scripts that I wrote myself. I hope that chemists can download theses applets and experiment with them for their own particular problems. The site is currently quite primative. I will expand it in the future. If you have any applets, links, or any other suggestions for the site, send them to me at rmuller@rcf.usc.edu. There seems to be a great deal of interest in Java in the computational chemistry community. Anyone interested in a mailing list? Thanks for all of the help. Rick -- Richard P. Muller, Ph.D. rmuller@invitro.usc.edu Department of Chemistry, SGM 418 http://www-rcf.usc.edu/~rmuller University of Southern California Office 213-740-7671 Los Angeles, CA 90089-1062 FAX 213-740-2701 From boyd@chem.iupui.edu Thu Jan 23 14:18:18 1997 Received: from indyvax.iupui.edu for boyd@chem.iupui.edu by www.ccl.net (8.8.3/950822.1) id NAA00893; Thu, 23 Jan 1997 13:35:14 -0500 (EST) Received: from macgw.chem.iupui.edu (134.68.137.71) by INDYVAX.IUPUI.EDU (PMDF V5.0-5 #5862) id <01IEJYQ6CF2800RR7E@INDYVAX.IUPUI.EDU> for chemistry@www.ccl.net; Thu, 23 Jan 1997 13:36:50 -0500 Date: Thu, 23 Jan 1997 13:34:26 -0500 From: Boyd Subject: reprints wanted To: OSC CCL Message-id: X-Mailer: Mail*Link SMTP-MS 3.0.2 Content-transfer-encoding: 7BIT CCLers, I'm trying to build a collection of reprints that cite "Reviews in Computational Chemistry." If you are the author of such a paper in the last 12-13 months, please help by sending me a copy today. Thanks very much. Don Dr. D. B. Boyd "Reviews in Computational Chemistry" 402 North Blackford Street Indianapolis, IN 46202-3274, U.S.A. REVIEWS IN COMPUTATIONAL CHEMISTRY Home Page on the World Wide Web URL http://chem.iupui.edu/~boyd/rcc.html From Lchen@mdli.com Thu Jan 23 14:22:22 1997 Received: from mdli.com for Lchen@mdli.com by www.ccl.net (8.8.3/950822.1) id NAA01068; Thu, 23 Jan 1997 13:52:55 -0500 (EST) Received: from puffin.mdli.com ([191.254.19.10]) by mdlgate.mdli.com with ESMTP id <17409>; Thu, 23 Jan 1997 10:26:49 -0800 Received: from gimli.mdli.com by puffin.mdli.com (8.8.4/BCH1.0) id SAA08898; Thu, 23 Jan 1997 18:38:48 GMT Received: from Trumpetfish.mdli.com by mdli.com (PMDF V5.1-5 #15780) with SMTP id <01IEJSMEVP0IHSSDDY@mdli.com> for chemistry@www.ccl.net; Thu, 23 Jan 1997 10:42:00 PST Date: Thu, 23 Jan 1997 10:40:09 -0800 From: Lingran Chen Subject: Chemical Programs for Linux To: chemistry@www.ccl.net Cc: Lchen@mdli.com Reply-to: Lchen@mdli.com Message-id: <32E7B089.5872@mdli.com> Organization: MDL Information Systems, Inc. MIME-version: 1.0 X-Mailer: Mozilla 3.01Gold (Win95; I) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit Hi CCL friends: In the past years I used Pentium PC/Linux as a main platform for developing the SYNGEN system (http://syngen2.chem.brandeis.edu/syngen.html) and for Web Server. I found this PC workstation is just fine. And I would like to know how many chemical programs have been ported to or developed on Linux and/or how many chemists are using Linux. Any information on this question will welcome and I will summarize the responses. Thanks. -Lingran ************************************************* Lingran Chen, Ph.D. Senior Scientific Programmer MDL Information Systems, Inc. 14600 Catalina Street San Leandro CA 94577 USA Phone: (510) 895-1313 FAX: (510) 614-3616 Email: LCHEN@MDLI.COM URL: syngen2.chem.brandeis.edu/~chen/lingran.html ************************************************* From serg@markov.chem.rochester.edu Thu Jan 23 14:27:47 1997 Received: from galileo.cc.rochester.edu for serg@markov.chem.rochester.edu by www.ccl.net (8.8.3/950822.1) id NAA01011; Thu, 23 Jan 1997 13:47:08 -0500 (EST) Received: from markov.chem.rochester.edu (markov.chem.rochester.edu [128.151.176.16]) by galileo.cc.rochester.edu (8.8.4/8.6.4) with SMTP id NAA18745 for <@galileo.cc.rochester.edu:CHEMISTRY@www.ccl.net>; Thu, 23 Jan 1997 13:47:09 -0500 (EST) Received: by markov.chem.rochester.edu (920330.SGI/920502.SGI.AUTO) for @galileo.cc.rochester.edu:CHEMISTRY@www.ccl.net id AA08016; Thu, 23 Jan 97 13:47:09 -0500 Date: Thu, 23 Jan 1997 13:47:03 -0500 (EST) From: Sergei Tretiak To: CHEMISTRY@www.ccl.net Subject: Molecular Geometries: Database Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL's: We need for our work geometries of various molecules. Instead of diving to the long ab initio calculations, probably, it will be wise to check whether somebody already did such job. Are any Databases that include results of molecular structure calculations simulations, experimental, etc. available for public? Thank you all for your time, Sergei .-----------------------------------------------------------------------. | Sergei Tretiak | |.......................................................................| | Department of Chemistry | Voice: (716) 275-8289 | | University of Rochester | Fax: (716) 475 -1185 | | Rochester, NY 14627 | E-mail: serg@markov.chem.rochester.edu | |_______________________________________________________________________| From tasaki@mcaca.com Thu Jan 23 15:18:20 1997 Received: from server.mcaca.com for tasaki@mcaca.com by www.ccl.net (8.8.3/950822.1) id OAA01263; Thu, 23 Jan 1997 14:27:06 -0500 (EST) Received: from server.mcaca.com by server.mcaca.com (8.6.12/8) id LAA18589; Thu, 23 Jan 1997 11:44:26 -0800 Date: Thu, 23 Jan 1997 11:44:26 -0800 Message-Id: <199701231944.LAA18589@server.mcaca.com> X-Sender: s573455@mcaca.com X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: Ken Tasaki Subject: Isodesmic Reaction A just simple question: does anyone know what to say "isodesmic reaction" in Japanese? Sincerely, Ken Tasaki, Ph.D. Chief Scientist Mitsubishi Chemical America, Inc. 99 W Tasman Dr. Suite 200 San Jose, CA 95134 Tel: (408) 232-6229 Fax: (408) 954-8494 e-mail: tasaki@mcaca.com http::/www.mcaca.com From bear@ellington.pharm.arizona.edu Thu Jan 23 16:18:20 1997 Received: from ellington.pharm.arizona.edu for bear@ellington.pharm.arizona.edu by www.ccl.net (8.8.3/950822.1) id PAA02412; Thu, 23 Jan 1997 15:53:48 -0500 (EST) Received: by ellington.pharm.arizona.edu (940816.SGI.8.6.9/920502.SGI) for chemistry@www.ccl.net id NAA01756; Thu, 23 Jan 1997 13:53:52 -0700 Date: Thu, 23 Jan 1997 13:53:52 -0700 From: bear@ellington.pharm.arizona.edu (Soaring Bear) Message-Id: <199701232053.NAA01756@ellington.pharm.arizona.edu> To: chemistry@www.ccl.net Subject: flavone redox potentials Does anyone know of a collected source of redox potentials for compounds: perhaps a CRC type of book? I'm looking redox potentials of flavones and only found a few measurements in preliminary lit search. thankyou, bear  ___ _ http://ellington.pharm.arizona.edu/~bear O-topo-O (___ |.) bear@ellington.pharm.arizona.edu 5' : : .* ___)OARING |_)EAR, UA Pharmacy 404, Tucson 85721 |'*. .*'| | Computer Modeling for Medicinal Chemistry; SAR CAMD | | *.,* | | | Protein/DNA Structural Biology; Cancer Biochemistry 3',DNA helix|.* Pharmacognosy, Herbs, Nutrition, Natural Dentistry '***' '**  From bdavis@yorku.ca Thu Jan 23 17:18:25 1997 Received: from suntan.ccs.yorku.ca for bdavis@yorku.ca by www.ccl.net (8.8.3/950822.1) id QAA02920; Thu, 23 Jan 1997 16:44:35 -0500 (EST) Received: from angel.phoenix.yorku.ca (YFb1ueA3BD8knxoCpgoey7V8eYI2hmvX@angel.phoenix.yorku.ca [130.63.236.44]) by suntan.ccs.yorku.ca (8.8.4/8.6.11) with ESMTP id QAA09882 for ; Thu, 23 Jan 1997 16:44:23 -0500 (EST) Received: from localhost (bdavis@localhost) by angel.phoenix.yorku.ca (8.6.11/8.6.12) with SMTP id QAA26009 for ; Thu, 23 Jan 1997 16:44:07 -0500 X-Authentication-Warning: angel.phoenix.yorku.ca: bdavis owned process doing -bs Date: Thu, 23 Jan 1997 16:44:07 -0500 (EST) From: Bill Davis X-Sender: bdavis@angel.phoenix.yorku.ca To: CHEMISTRY@www.ccl.net Subject: g94/linux dft glitch? Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi! I was wondering if anyone could shed some light on a curious problem I'm having running g94 under linux on a Pentium Pro 100. The analytic frequencies using DFT seem to take twice as long as they should. The numerical frequencies work fine and take the same amount of time as the analytic frequencies. Running the same job on other machines (sgi indigo and 8 processor PowerChallenge) indicate link 1002 is the culprit. It is using double the CPU time it should on the Pentium. Anyone else have this problem or any suggestions on how to resolve it? Thanks. g94 revision D.1 Email replies to bdavis@yorku.ca Dr. Bill Davis From g-recht@chem.nwu.edu Thu Jan 23 18:18:18 1997 Received: from mercury.chem.nwu.edu for g-recht@chem.nwu.edu by www.ccl.net (8.8.3/950822.1) id RAA03261; Thu, 23 Jan 1997 17:18:25 -0500 (EST) Received: by mercury.chem.nwu.edu (AIX 3.2/UCB 5.64/4.03) id AA27550; Thu, 23 Jan 1997 16:18:31 -0600 From: g-recht@chem.nwu.edu (Gregory Rechtsteiner) Message-Id: <9701232218.AA27550@mercury.chem.nwu.edu> Subject: fortran ising models To: chemistry@www.ccl.net Date: Thu, 23 Jan 1997 16:18:30 -0600 (CST) X-Mailer: ELM [version 2.4 PL24] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Hello: I was wondering if anyone has any fortran code for simulating one-dimensional (1x10) Ising and/or two-dimensional Ising models (via Monte Carlo method). I have located plenty of books offering suggestions for computer programs, but no detailed code. Thank you for your help, Greg Rechtsteiner grechtst@pepvax.pepperdine.edu From berriz@chasma.harvard.edu Thu Jan 23 18:26:54 1997 Received: from chasma.harvard.edu for berriz@chasma.harvard.edu by www.ccl.net (8.8.3/950822.1) id RAA03341; Thu, 23 Jan 1997 17:23:32 -0500 (EST) Received: by chasma.harvard.edu (AIX 3.2/UCB 5.64/4.03) id AA26909; Thu, 23 Jan 1997 17:23:37 -0500 Date: Thu, 23 Jan 1997 17:23:37 -0500 From: berriz@chasma.harvard.edu (Gabriel Berriz) Message-Id: <9701232223.AA26909@chasma.harvard.edu> To: chemistry@www.ccl.net In-Reply-To: <9701231657.AA19303@chasma.harvard.edu> (berriz@chasma.harvard.edu) Subject: Running Quanta remotely (Was: Quanta on AlphaStation clones?) [This is a follow-up to an earlier question of mine (quoted below, for reference)...] Another option that has come up is to consolidate all our CPU power on a single server, and to use NCD X-terminals as consoles on people's desks. Does anyone know if it is possible to view and interact with Quanta (which is running on the server) remotely through an NCD X-terminal? Gabriel Berriz berriz@chasma.harvard.edu Department of Chemistry and Chemical Biology Harvard University ========================================================================== Date: Thu, 23 Jan 1997 11:57:49 -0500 From: berriz@chasma.harvard.edu (Gabriel Berriz) Dear netters: Our lab is (still!) in the process of overhauling its computer equipment. We are trying to decide between SGI and Alpha workstations (or, more precisely, AlphaStation clones). By far, the greatest fraction of our lab computers' CPU cycles are devoted to running our (in-house written) number crunching programs; this makes the Alpha clones more attractive, since they give us more number crunching power per buck. However, occasionally some of us need to visualize molecules with Quanta, and therefore strongly prefer the SGI alternative, even if Quanta takes up only a minuscule fraction of our total CPU load. Therefore, I would appreciate to hear about the experiences of anyone out there running Quanta on an Alpha 21164 chip (we're considering either 433 or 500 Mhz). Do you require and/or recommend any special graphics hardware (e.g. graphics card or monitor)? How good are the Quanta graphics? In particular, is the mouse-driven rotation of molecules quick and smooth to the eye, or is it lagging and jerky? I would appreciate any comments pertinent to the high-end graphics possibilities of Alpha clones. Thank you very much advance. Gabriel Berriz berriz@chasma.harvard.edu Department of Chemistry and Chemical Biology Harvard University -------This is added Automatically by the Software-------- -- Original Sender Envelope Address: berriz@chasma.harvard.edu -- Original Sender From: Address: berriz@chasma.harvard.edu CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search Web: http://www.ccl.net/chemistry.html