From Leif.Laaksonen@pobox.csc.fi Wed Mar 2 06:04:55 1994 Received: from pobox.csc.fi for Leif.Laaksonen@pobox.csc.fi by www.ccl.net (8.6.4/930601.1506) id FAA21290; Wed, 2 Mar 1994 05:24:14 -0500 Received: from [128.214.46.163] (laaksone.csc.fi) by pobox.csc.fi with SMTP id AA18296 (5.65c8+/IDA-1.4.4 for ); Wed, 2 Mar 1994 12:24:02 +0200 Date: Wed, 2 Mar 1994 12:24:02 +0200 Message-Id: <199403021024.AA18296@pobox.csc.fi> X-Sender: laaksone@finsun.csc.fi Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: Leif.Laaksonen@csc.fi Subject: Chemistry WWW server at CSC Hello, We are pleased to announce a WWW Chemistry Server at the Center for Scientific Computing. URL: http://www.csc.fi/lul/csc_chem.html Please feel free to take part in the marvelous world of Mosaic. -leif laaksonen ------------------------------------------------------------------- Leif Laaksonen | Center for Scientific Computing | Phone: 358 0 4572378 P.O. Box 405 | Telefax: 358 0 4572302 FIN-02101 Espoo | Voice Mail: 358 486257407 FINLAND | Mail: Leif.Laaksonen@csc.fi --------URL: http://www.csc.fi/lul/leif/leif.laaksonen.html-------- New opinions are always suspected, and usually opposed, without any other reason but because they are not already common. John Locke ------------------------------------------------------------------- From ghislain@jupiter.sun.csd.unb.ca Wed Mar 2 16:04:58 1994 Received: from unb.ca for ghislain@jupiter.sun.csd.unb.ca by www.ccl.net (8.6.4/930601.1506) id PAA26839; Wed, 2 Mar 1994 15:55:19 -0500 Received: from jupiter.sun.csd.unb.ca by unb.ca (4.1/SMI-4.1-940224-08:05) id AA26275; Wed, 2 Mar 94 16:55:12 AST Received: from [131.202.47.1] by jupiter.sun.csd.unb.ca (4.1/SMI-4.1-940126-11:10) id AA00488; Wed, 2 Mar 94 16:55:07 AST Date: Wed, 2 Mar 94 16:55:03 AST Message-Id: <9403022055.AA00488@jupiter.sun.csd.unb.ca> Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: CHEMISTRY@ccl.net From: ghislain@jupiter.sun.csd.unb.ca (Ghislain Deslongchamps) Subject: shareware graphics for PC Dear Netters, We are running Gaussian92/Windows on a 486 and would like to get a graphics interface for visualizing MO output files. We have the Babel file conversion program but nothing to convert the output files to! Is there good shareware out there for adequate visualization? Thanks Scott Brownridge e-mail: n4fz@unb.ca From hugo@montara.molres.org Wed Mar 2 17:04:50 1994 Received: from mail.barrnet.net for hugo@montara.molres.org by www.ccl.net (8.6.4/930601.1506) id QAA27136; Wed, 2 Mar 1994 16:12:22 -0500 Received: from montara.molres.org by mail.barrnet.net (5.67/1.37) id AA21871; Wed, 2 Mar 94 13:12:20 -0800 Received: by montara.molres.org. (4.1/SMI-4.1) id AA08123; Wed, 2 Mar 94 13:12:50 PST Date: Wed, 2 Mar 94 13:12:50 PST From: hugo@montara.molres.org (Hugo Villar) Message-Id: <9403022112.AA08123@montara.molres.org.> To: chemistry@ccl.net Subject: Enzymes/Substrates/Inhibitors/ Database Hello neters! Does anyone know of a database of enzymes and their known substrates and inhibito inhibitors? It does not need to have any structural info, just a list and may be their affinity for each other. Thanks in advance. I'll summarize depen depending on what I get. ================================================================================ Hugo O. Villar. Terrapin Technologies, Inc.. 750-H Gateway Blvd. South San Francisco,CA 94080. hugo@montara.molres.org ================================================================================ From news@nntp-server.caltech.edu Wed Mar 2 17:07:25 1994 Received: from piccolo.cco.caltech.edu for news@nntp-server.caltech.edu by www.ccl.net (8.6.4/930601.1506) id RAA27542; Wed, 2 Mar 1994 17:02:40 -0500 Received: from gap.cco.caltech.edu by piccolo.cco.caltech.edu with SMTP (8.6.4/DEI:4.41) id OAA04941; Wed, 2 Mar 1994 14:02:10 -0800 Received: by gap.cco.caltech.edu (4.1/DEI:4.41) id AA06580; Wed, 2 Mar 94 14:02:06 PST To: mlist-chemistry@nntp-server.caltech.edu Path: gap.caltech.edu!rpm From: rpm@bach.wag.caltech.edu (Richard P. Muller) Newsgroups: mlist.chemistry Subject: Maple/Mathematica workbooks for Intro Quantum Chemistry Date: 2 Mar 94 14:02:03 Organization: Materials Simulations Center Lines: 26 Distribution: mlist Message-Id: Nntp-Posting-Host: bach.wag.caltech.edu I have been somewhat fascinated with symbolic math programs such as Maple or Mathematica for some time. I wish they had been around when I took Calculus, Quantum Chemistry, etc. But other than doing a few energy derivatives analytically, I haven't found many applications of them in my research. One idea that seems interesting is to develop some workbooks for introductory quantum chemistry using a symbolic math program. Students could follow through the text, and then click on Maple routines which solve the relevant diff. eq.'s, and perhaps even plot the solutions to see what the orbitals look like. The advantage to doing it this way is that the students could change the equations and see how the changes affect the eigenfunctions/eigenvalues. Has anyone done any work along these lines? Does anyone know of an ftp site for other types of workbooks in Mathematica or Maple? -- -Rick --------------------------------------------------------------------- Richard P. Muller rpm@wag.caltech.edu Beckman Institute 139-74 (818) 395-2722 Office California Institute of Technology (818) 568-9484 Home Pasadena, California 91125 (818) 585-0918 FAX From scott_c@scs.unr.edu Wed Mar 2 20:04:50 1994 Received: from piccolo.cco.caltech.edu for scott_c@scs.unr.edu by www.ccl.net (8.6.4/930601.1506) id TAA28692; Wed, 2 Mar 1994 19:51:33 -0500 Received: from gap.cco.caltech.edu by piccolo.cco.caltech.edu with SMTP (8.6.4/DEI:4.41) id QAA08551; Wed, 2 Mar 1994 16:51:02 -0800 Received: from tonto.scs.unr.edu by gap.cco.caltech.edu (4.1/DEI:4.41) id AA15029; Wed, 2 Mar 94 16:50:56 PST Received: from shadow.scs.unr.edu by tonto.scs.unr.edu (4.1/1.34) id AA13449; Wed, 2 Mar 94 16:50:57 PST Received: by shadow.scs.unr.edu (5.65/Ultrix3.0-C) id AA27213; Wed, 2 Mar 1994 16:50:54 -0800 Date: Wed, 2 Mar 1994 16:50:53 -0800 (PST) From: Scott Crittenden Subject: Re: CCL:Maple/Mathematica workbooks for Intro Quantum Chemistry To: "Richard P. Muller" Cc: mlist-chemistry@nntp-server.caltech.edu In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Try ftping to yoda.physics.unc.edu. They have a rather large collection of mathematica motebooks and code. There's also mathsource.wri.com ( Wolfram Research Inc. the makers of Mathematica ). The yoda.* site has, among other things, a package built by some people at SLAC for handling electron-gamma ray collisions. Not that it's of any direct use to me ( being an undergrad still. ) scott_c@shadow.unr.edu scott.crittenden@intercomm.dps.com 'I am homer of borg, prepare to be ass... oooohh, I donut!'