From chakravo@juliet.ucs.indiana.edu Sat Jul 12 01:06:33 1997 Received: from cayman.ucs.indiana.edu for chakravo@juliet.ucs.indiana.edu by www.ccl.net (8.8.3/950822.1) id AAA10949; Sat, 12 Jul 1997 00:27:05 -0400 (EDT) Received: from juliet.ucs.indiana.edu (juliet.ucs.indiana.edu [129.79.10.43]) by cayman.ucs.indiana.edu (8.8.5/8.8.5/1.13IUPO) with ESMTP id XAA14647 for ; Fri, 11 Jul 1997 23:27:05 -0500 (EST) Received: (from chakravo@localhost) by juliet.ucs.indiana.edu (8.8.5/8.7.3/1.8shakes) id XAA17796; Fri, 11 Jul 1997 23:27:04 -0500 (EST) Date: Fri, 11 Jul 1997 23:27:04 -0500 (EST) From: "Subhas J. Chakravorty" To: chemistry@www.ccl.net Subject: The world's last Object Oriented bug last Object oriented bug Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII " the The world's last C bug " Iam probably on a reject list. I am sending this again I think this C program was pretty humorous : while (1) { status = GetRadarInfo(); if (status = 1) LaunchMissiles(); } As soon as our Computer Science freinds decide which language and which computer is the best, we will buy that computer and learn and use that language. The problem is that they keep changing their minds on us from : Pascal, C, C++, Java, Python, Cobra oops, Corba, .... whereas FORTRAN plans to be Fortran, Fortran-2, Fortran-4, Fortran-66, Fortran-77,.... While they change their minds several times over the next century we can hold our breath and program in Fortran on our very old computers. I waiting for that language until then FORTRAN with its weaknesses serves the purpose. Subhas J. Chakravorty, sjchakravorty@rohmhaas.com (215)-619-5481 Rohm and Haas Company Spring House, PA-19447 ************************************************************************** Disclaimer : Opinions in the above text are not of Rohm and Haas Company + ************************************************************************** From panc@isc.kyushu-u.ac.jp Sat Jul 12 05:06:35 1997 Received: from ryugaku.isc.kyushu-u.ac.jp for panc@isc.kyushu-u.ac.jp by www.ccl.net (8.8.3/950822.1) id EAA11401; Sat, 12 Jul 1997 04:26:57 -0400 (EDT) Received: from [133.5.200.108] ([133.5.200.108]) by ryugaku.isc.kyushu-u.ac.jp (8.7.5/3.4W4) with SMTP id RAA00723 for ; Sat, 12 Jul 1997 17:28:36 +0900 (JST) Message-Id: <199707120828.RAA00723@ryugaku.isc.kyushu-u.ac.jp> X-Mailer: Macintosh Eudora Pro Version 2.1.4-J Mime-Version: 1.0 Content-Type: text/plain; charset="ISO-2022-JP" Date: Sat, 12 Jul 1997 17:30:23 +0900 To: chemistry@www.ccl.net From: panc@isc.kyushu-u.ac.jp (Canping Pan) Subject: G: Supramolecular and Pesticide Chemistry Greeting, Does anyone maintain both Supramolecular and Pesticide Chemistry Homepages or other WWW resourses? I'd like to summarize it. Yours, -- Canping Pan Department of Agric. Chemistry Faculty of Agriculture Kyushu University 46-02 Japan 812-81 http://133.5.200.42/pan.html email: panc@isc.kyushu-u.ac.jp ---------------------------- From stoutepf@carbon.dmpc.com Sat Jul 12 12:06:44 1997 Received: from gatekeeper.es.dupont.com for stoutepf@carbon.dmpc.com by www.ccl.net (8.8.3/950822.1) id LAA12246; Sat, 12 Jul 1997 11:31:55 -0400 (EDT) Received: by gatekeeper.es.dupont.com; id LAA05511; Sat, 12 Jul 1997 11:31:54 -0400 Received: by esds01.es.dupont.com; id AA18607; Sat, 12 Jul 97 11:31:53 -0400 Received: from [158.117.203.78] (ram203078.dmpc.com [158.117.203.78])by carbon.dmpc.com (8.8.5/8.8.5) with ESMTP id LAA02174for ; Sat, 12 Jul 1997 11:31:50 -0400 (EDT) Message-Id: In-Reply-To: References: <199707111915.PAA09791@www.ccl.net> Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" X-Organization: The DuPont Merck Pharmaceutical Company X-Mailer: Eudora Pro 3.0 for Macintosh Date: Sat, 12 Jul 1997 11:31:43 -0400 To: chemistry@www.ccl.net From: Pieter Stouten Subject: Biosym scripting language (was: Object-oriented means for computational chemistry programming) On 97/07/11 at 20:19 -0400, Mike Kotelyanskii wrote: >That's actually what Biosym has been doing for last couple of years. >Their script language was actually Tcl >(if I am not mistaken...) > Discover's scripting language is TCL, but the regular Biosym scripting language is an abomination called BCL (Biosym Control Language ?). The syntax is not fully documented (kind of strange as there is a BCL interpreter), nor does there seem to be anybody at MSI who has anywhere near complete BCL knowledge. When we were still actively working on our BForce implementation (the MSI version is known as Affinity), we ran into many problems, most often related to parameter passing. It would have made sense to change from BCL to TCL with specific Biosym extensions if it were not for the fact that it can be expected (conjecture on my part) that over time users will migrate from insightII to Cerius2 and, therefore, revamping insightII does not make sense. -- Pieter Stouten || There is more to life Computer Aided Drug Design Group || The DuPont Merck Pharmaceutical Company || than avoiding litigation P.O. Box 80500, Wilmington, DE 19880-0500 || Phone: +1 (302) 695 3515 || -- Fax: +1 (302) 695 9090 || Internet: stoutepf@carbon.dmpc.com || Pieter Stouten Web: http://www.halcyon.com/stouten/ || From bruno@antas.agraria.uniss.it Sat Jul 12 15:06:41 1997 Received: from ssmain.uniss.it for bruno@antas.agraria.uniss.it by www.ccl.net (8.8.3/950822.1) id OAA12839; Sat, 12 Jul 1997 14:47:16 -0400 (EDT) Received: from antas.agraria.uniss.it by ssmain.uniss.it with SMTP (1.39.111.2/16.2) id AA079293195; Sat, 12 Jul 1997 20:46:35 +0200 Date: Sat, 12 Jul 1997 20:47:07 +0100 (NFT) From: "Dr. Bruno Manunza" To: Canping Pan Cc: chemistry@www.ccl.net Subject: Re: CCL:G: Supramolecular and Pesticide Chemistry In-Reply-To: <199707120828.RAA00723@ryugaku.isc.kyushu-u.ac.jp> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Sat, 12 Jul 1997, Canping Pan wrote: > Greeting, > > Does anyone maintain both Supramolecular and Pesticide Chemistry Homepages > or other WWW resourses? > > I'd like to summarize it. > Dear Camping, you may found some link to pesticide databases in our Molecular Databases page at http://antas.agraria.uniss.it/molec_db.html also among the software & molmod pages at http://antas.agraria.uniss.it there are some references to supramolecular chemistry sites on the web. Hope it helps P.S. I'm interested to your summary regards Bruno Dr Bruno Manunza DISAABA (Dept. of Agricultural Environm. Sci) University of Sassari V.le Italia 39 07100 Sassari, ITALY phone: 39 79 229215 fax: 39 79 229276 e-mail: bruno@antas.agraria.uniss.it e-mail: bruno@tharros.dipchim.uniss.it e-mail: gx6bot81@cray.cineca.it web: http://antas.agraria.uniss.it From jkl@ccl.net Sat Jul 12 19:06:41 1997 Received: from bedrock.ccl.net for jkl@ccl.net by www.ccl.net (8.8.3/950822.1) id SAA13714; Sat, 12 Jul 1997 18:52:43 -0400 (EDT) Received: from krakow.ccl.net for jkl@ccl.net by bedrock.ccl.net (8.8.6/950822.1) id SAA29449; Sat, 12 Jul 1997 18:52:23 -0400 (EDT) From: Jan Labanowski Received: for jkl@ccl.net by krakow.ccl.net (8.8.3/920428.1525) id SAA01324; Sat, 12 Jul 1997 18:52:18 -0400 (EDT) Date: Sat, 12 Jul 1997 18:52:18 -0400 (EDT) Message-Id: <199707122252.SAA01324@krakow.ccl.net> To: chemistry@www.ccl.net Subject: xvibs now works with ACES2 and GAMESS beside GAUSSIAN Cc: jkl@ccl.net, fred@org.chem.uva.nl, Yos.Ginting@chem.utas.edu.au, milan@kihp6.ki.si Dear CCLs, Another small utility... We all cherish Milan Hodoscek xvibs.c program which extracts modes from Gaussian files, produces the animation file for Xmol viewer, and you can see your molecule jiggling, and have fun... I now added support for ACES2 and GAMESS to xvibs.c (beside the Gaussian). So grab the new version from CCL archives: ftp://www.ccl.net/pub/chemistry/software/SOURCES/C/xvibs Examples for output files are provided. If XMol does not work for you, you can still see animation with the xbsa, after you processed your animation file with the utility script xyz2bs available in xbsa distribution at: ftp://www.ccl.net/pub/chemistry/software/X-WINDOWS/xbsa (grap the xbsa.tar.Z and the README file). Tell me about my bugs, since it was a quick night hack. Jan Labanowski jkl@ccl.net -- Dr. Jan K. Labanowski, Senior Research/Supercomputer Scientist/Specialist, etc. Ohio Supercomputer Center, 1224 Kinnear Rd, Columbus, OH 43212-1163 ph:(614)-292-9279, FAX:(614)-292-7168, E-mail: jkl@ccl.net JKL@OHSTPY.BITNET