From owner-chemistry@ccl.net Mon Jun 3 10:59:57 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id KAA03346; Mon, 3 Jun 1996 10:09:45 -0400 (EDT) Received: from focus for amt@ftn.net by bedrock.ccl.net (8.7.5/950822.1) id KAA13936; Mon, 3 Jun 1996 10:09:45 -0400 (EDT) Received: from 172.27.99.1 by focus with smtp (Smail3.1.28.1 #7) id m0uQaL8-001NLXC; Mon, 3 Jun 96 10:10 EDT Message-Id: Date: Mon, 3 Jun 96 10:10 EDT X-Sender: amt@172.27.99.1 (Unverified) X-Mailer: Windows Eudora Version 1.4.3 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: amt@ftn.net (Adi Treasurywala) Subject: Compu Chem Club in Toronto? Folks, I am writing to ask if anyone knows of a regularly convened meeting of computational chemists/biologists in the Toronto CANADA area. I have some experience with these gatherings having particcipated in the founding of the ones at Albany NY. and Philadelphia PA. If one exists already I would like to participate. If one does not yet exist I would be willing to help start one. Please let me know directly if you know of one or if you are interested in participating in founding one. Thanks a million in advance for your help. Adi. ******************************** All views expressed here are only my own. Adi M Treasurywala Allelix Biopharma., 6850 Goreway Drive, Mississauga, Ontario. CANADA L4V 1V7. (905)677-0831 FAX (905)677-5344 ******************************** From jmolmod@organik.uni-erlangen.de Mon Jun 3 11:00:04 1996 Received: from faui45.informatik.uni-erlangen.de for jmolmod@organik.uni-erlangen.de by www.ccl.net (8.7.5/950822.1) id KAA03366; Mon, 3 Jun 1996 10:19:38 -0400 (EDT) Received: from derioc1.organik.uni-erlangen.de (derioc1.organik.uni-erlangen.de [131.188.128.1]) by uni-erlangen.de with ESMTP id QAA04917 (8.6.12/7.4f-FAU); for ; Mon, 3 Jun 1996 16:19:25 +0200 Received: (from jmolmod@localhost) by organik.uni-erlangen.de id QAA20599 (8.6.12/7.4f-FAU); for chemistry@www.ccl.net; Mon, 3 Jun 1996 16:03:18 +0200 From: Journal of Molecular Modeling Message-Id: <199606031403.QAA20599@derioc1.organik.uni-erlangen.de> Subject: J.Mol.Model. invites you to contribute a paper To: chemistry@www.ccl.net Date: Mon, 3 Jun 1996 16:03:11 +0200 (MET) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 8bit Journal of Molecular Modeling The advanced way of publishing Call for Papers The Journal of Molecular Modeling invites you to contribute your papers. The Journal of Molecular Modeling is the first fully electronic journal in chemistry. It is the perfect medium for presenting results of scientific research produced on the computer, offering the unique possibility of applying all the daily tools of computational chemistry to the world of scientific publishing to benefit authors and readers. The aim of the Editor and the Publisher is to produce a high quality chemistry journal that takes advantage of modern electronic communication techniques. Thus the journal offers many advantages important to the active scientist in the field: * unprecedentedly short publication times; * fully peer reviewed; fully citable (ISSN; CAS; ISI); * no page charges; full color; * no extra costs for sophisticated presentation materials; * possibility of incorporating videos, program demos, VRML-scenes etc.; * publication of fully hyperlinked texts in PDF format; * generally accessible graphical abstracts of accepted papers on several WWW-sites; * widespread visibility of your research in the Internet. The journal is made accessible through FTP- and WWW-servers to subscribers with individual papers being accessible for at least two years. (URL: http://science.springer.de) The server mode of publication, however, does not mean that we do not provide for the longevity of the published material, which will be guaranteed by issuing CD-ROMs and print archive editions. The Journal of Molecular Modeling publishes all quality science that passes the critical review of experts in the field and falls within the scope of the journal coverage, including: * computer aided molecular design * visualization, classification and handling of chemical data * rational drug design, de novo ligand design and receptor modeling * computational enhanced desktop tools for life sciences * protein and peptide modeling * molecular mechanics/dynamics simulation of polymers and biopolymers * prediction of biological activities (QSAR) and physico-chemical properties (QSPR) * genetic algorithms and neural nets * catalyst modeling The editorial office of the Journal of Molecular Modeling is located at the Computer-Chemie-Centrum of the Institut fuer Organische Chemie, Friedrich-Alexander-Universitaet Erlangen-Nuernberg. As the Editor-in-Chief I encourage all scientists to submit their contributions making use of full color graphics and/or other sophisticated presentation techniques. I look forward to welcome you as a new author of this exciting journal. Best wishes, Dr. Tim Clark (editor-in-chief) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^ Journal of Molecular Modeling ^ Tel: [+49](0)9131 / 85-2948 ^ ^ Editorial Office ^ ^ ^ Computer-Chemie-Centrum ^ [+49](0)9131 / 85-6567 ^ ^ Universitaet Erlangen-Nuernberg ^ ^ ^ Naegelsbachstrasse 25 ^ Fax: [+49](0)9131 / 85-6565 ^ ^ D-91052 Erlangen ^ ^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^ email: jmolmod@organik.uni-erlangen.de ^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^ http://www.organik.uni-erlangen.de ^ http://science.springer.de ^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ From polowin@hyper.hyper.com Mon Jun 3 11:51:29 1996 Received: from www.hyper.com for polowin@hyper.hyper.com by www.ccl.net (8.7.5/950822.1) id LAA04004; Mon, 3 Jun 1996 11:46:55 -0400 (EDT) Received: from hyper.hyper.com (hyper.hyper.com [204.50.97.9]) by www.hyper.com (8.6.12/8.6.12) with SMTP id LAA10793; Mon, 3 Jun 1996 11:56:44 -0400 Received: by hyper.hyper.com (920330.SGI/920502.SGI) for @www.hyper.com:cclcom@shore.net id AA16250; Mon, 3 Jun 96 11:56:41 -0400 Date: Mon, 3 Jun 96 11:56:41 -0400 From: polowin@hyper.hyper.com (Joel Polowin) Message-Id: <9606031556.AA16250@hyper.hyper.com> To: cclcom@shore.net Subject: Re: P. v.d. Valk : Commercial Postings Cc: chemistry@www.ccl.net > From: jsb2@camsoft.com > Date: Sun, 2 Jun 96 19:44:11 EDT > > I intend to include my email address at bottom, and someone might contact > me and ask what my company does. To single out a specific individual > (in a positive sense), I have found the postings of Joel Polowin to be > consisently polite, educated, and informative (hi, Joel!). As it happens, > Joel works for a company that might be considered a competitor of the one > I work for. His postings have given me a very positive opinion of him and > (by extension) his company. A positive opinion of a company is certainly > a good thing for that company, financially, and so by the restrictive definition > above, all of Joel's postings to the CCL list would be prohibited. Thanks for the kind words, Jonathan. I've enjoyed your contributions as well. I think that the basic thing is to follow a simple rule of "put in at least as much as you're taking out". Obviously, most people don't really want to see most advertising -- *I* certainly don't. So in a forum for academic discussion, a "good" message is one that helps people to do their work: "Try the method of [literature reference]." A slightly less "good" message would be "Try the method of [reference]; we use this in our package, contact me for details." Still less positive is "Our software does that; contact me... " And then there's the next step down, which involves long advertisement postings. Someone who's seen to post useful information regularly is likely to have his/her posts read. Someone who is seen only to post advertisements is likely to be ignored, and to generate a certain amount of ill feeling. > I think these current rules [for CCL] are very reasonable. I also think > that the VAST > majority of posts to the CCL list (or at least those that make it out to the > subscribers -- there's no accounting for Krazy Kevin, Jeff Slaton, and the > like) follow the rules. I think it would be a shame to change the rules > of the CCL list regarding commercial messages. I tend to agree, though (obviously) we're biased. On the CCL, and in other forums where I *don't* represent a commercial interest, I don't particularly mind seeing *brief* on-topic commercial messages, either announcing new products or responding to information requests. My patience decreases rapidly with message length and with posting frequency. Again, it's a matter of perception: "Is this person making a positive contribution to the discussion, or just using it as a medium for free advertising?" Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" to hyperchem-request@hyper.com WWW: http://www.hyper.com/ From waller@tyr.herl.epa.gov Mon Jun 3 13:51:30 1996 Received: from tyr.herl.epa.gov for waller@tyr.herl.epa.gov by www.ccl.net (8.7.5/950822.1) id NAA04726; Mon, 3 Jun 1996 13:44:54 -0400 (EDT) Received: from [134.67.74.48] by tyr.herl.epa.gov (940816.SGI.8.6.9/1.34) id KAA15385; Mon, 3 Jun 1996 10:27:44 -0700 X-Sender: waller@134.67.74.165 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Mon, 3 Jun 1996 13:27:53 -0500 To: chemistry@www.ccl.net From: waller@tyr.herl.epa.gov (Dr. Chris L. Waller) Subject: un/resubscribe thor died...again so... unsubscribe waller@thor.herl.epa.gov subscribe waller@tyr.herl.epa.gov From goddette@xhost1.tripos.com Mon Jun 3 18:51:31 1996 Received: from gatekeeper.tripos.com for goddette@xhost1.tripos.com by www.ccl.net (8.7.5/950822.1) id SAA06234; Mon, 3 Jun 1996 18:22:59 -0400 (EDT) Received: (from news@localhost) by gatekeeper.tripos.com (8.6.12/8.6.12) id RAA15215 for ; Mon, 3 Jun 1996 17:23:12 -0500 Received: from tripos.tripos.com(192.160.145.1) by gatekeeper.tripos.com via smap (V1.3) id sma015213; Mon Jun 3 17:22:45 1996 Received: from xhost1.tripos (xhost1.tripos.com [192.160.145.212]) by tripos.tripos.com (8.6.12/8.6.12) with ESMTP id RAA03312 for ; Mon, 3 Jun 1996 17:19:54 -0500 Received: by xhost1.tripos (940816.SGI.8.6.9/5.6) id RAA12101; Mon, 3 Jun 1996 17:20:01 -0500 Date: Mon, 3 Jun 1996 17:20:01 -0500 (CDT) From: Dean Goddette Subject: Web chemistry To: chemistry@www.ccl.net Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII I would like to update people on our (Tripos') progress in the area of web chemistry and let you know about a new pharmacophore detection tool using web technology called GASP. GASP is based on work in the Willett laboratory at Sheffield University (Jones, Willett & Glen, J. Comp.-Aided Mol. Design (1995) 9:532-549. The interface includes an updated visualization Java applet and deals with issues surrounding job control via the web. As many of you have seen, we previously implemented a prototype web application called "Fetch and Sketch" which can be accessed at www.tripos.com. The response to the prototype has been overwhelmingly positive. In fact, the WebSketch applet was voted one of the best Java applets of the year by Gamelan. My thanks to everyone who visited the site. The comments were extremely helpful. GASP is now installed on www.tripos.com - this is a complete installation of the program, not a mock-up, except that launching jobs has been disabled. Please check it out and sent us your comments. All feedback is welcome. ------------------------------------------------------------------------------ Dean Goddette, Ph.D. Senior Product Manager TRIPOS, Inc., 1699 S. Hanley Road, St. Louis, MO 63144 ph. (314) 647-1099 X3386 fax: (314) 647-9241 Tripos Announces Release of New Web-based Pharmacophore Detection Program Tripos is pleased to announce the release of GASP v1.0, a program for molecular alignment and pharmacophore detection. GASP produces better alignments than other programs because of its unique fitness function coupled with a genetic algorithm that drives the conformational search. No precalculation of conformations is needed! GASP has been implemented for use on internal company networks for sharing information with other scientists. Using tools developed for the Internet, GASP results can be viewed by scientists anywhere in the company on any platform. The only requirements are that the chemist be connected to the company network and have a "browser". GASP handles the rest. GASP can be previewed by visiting www.tripos.com. This is a complete installation of GASP, not a mock-up! Launching of jobs has been disabled but visitors can get a feel for the program directly. Tripos strongly recommends the use of Netscape Navigator 2 with GASP. GASP uses Java for some of the interactive visualization tools. Other browsers can be used but only static images will be displayed. GASP is based on work in the Willett laboratory at Sheffield University (Jones, Willett & Glen, J. Comp.-Aided Mol. Design (1995) 9:532-549. ------------------------------------------------------------------------------ Dean Goddette, Ph.D. Senior Product Manager TRIPOS, Inc., 1699 S. Hanley Road, St. Louis, MO 63144 ph. (314) 647-1099 X3386 fax: (314) 647-9241