From kallies@serv.chem.uni-potsdam.de Tue May 28 04:01:00 1996 Received: from hp.rz.uni-potsdam.de for kallies@serv.chem.uni-potsdam.de by www.ccl.net (8.7.5/950822.1) id EAA14130; Tue, 28 May 1996 04:01:00 -0400 (EDT) Received: from serv.chem.uni-potsdam.de by hp.rz.uni-potsdam.de with SMTP (1.37.109.10G/16.2) id AA147940342; Tue, 28 May 1996 09:59:02 +0200 Received: from pch10.chem.uni-potsdam.de by serv.chem.uni-potsdam.de (AIX 3.2/UCB 5.64/4.03) id AA19368; Tue, 28 May 1996 10:00:24 +0100 Date: Tue, 28 May 1996 10:00:24 +0100 Message-Id: <9605280900.AA19368@serv.chem.uni-potsdam.de> X-Sender: kallies@serv.chem.uni-potsdam.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: csilmt12@area.ba.cnr.it From: "B. Kallies" Subject: Re: autoprotolysis constant of alcohols Cc: chemistry@www.ccl.net Dear Dr. Trotta, Christian Reichardt collected some pK(auto) for amphiprotic solvents in "Solvents and Solvent Effects in Organic Chemistry" 2nd. ed., VCH 1990, p. 431 ff. There will be found for 2 ROH =3D R(OH)2(+) + RO(-) Solvent R pK(auto) at 25=B0C ----------------------------------------- Methanol CH3 17.20 Ethanol C2H5 18.88 1-Propanol C3H7 19.43 1-Butanol C4H9 21.56 1-Pentanol C5H11 20.65 and some others. Original references and some other original literature citations are given, too. Yours sincerely B. Kallies --------------------------------------------------- DC Bernd Kallies Institut fuer Physikalische und Theoretische Chemie Universitaet Potsdam Am Neuen Palais 10 14469 Potsdam GERMANY e-mail: kallies@serv.chem.uni-potsdam.de Fax: ++49 / 0331 977 1315 --------------------------------------------------- From qtel96@ba.unex.es Tue May 28 04:50:09 1996 Received: from pizarro.unex.es for qtel96@ba.unex.es by www.ccl.net (8.7.5/950822.1) id EAA14275; Tue, 28 May 1996 04:30:40 -0400 (EDT) Received: (from ean@localhost) by pizarro.unex.es (8.6.12/8.6.12) id JAA14352 for chemistry@www.ccl.net; Tue, 28 May 1996 09:27:29 +0100 Date: 28 May 96 9:27 +0100 From: "XXIII Congr. Q. Teor. de Expr. Latina" To: Message-ID: <97*qtel96@ba.unex.es> Subject: Second Circular QTEL'96 Return-Receipt-To: "XXIII Congr. Q. Teor. de Expr. Latina" ------------------------------------------------------------------------- The Second Circular of the XXIIIrd Meeting of Theoretical Chemists of Latin Expression (QTEL'96) is available in the Meeting pages of The Molecular Modeling e-Conference (TMMeC). To obtain this information, along with the instructions for electronic abstract submission, registration and hotel accomodations, access TMMeC list of mirrors at: http://bilbo.edu.uy/agora/Mirrors.html http://stark.udg.es/agora/Mirrors.html and choose from there the mirror closest to you place. When you have access the Conference, enter the Meetings page (through the main entrance) where you will find the QTEL'96 pages. Dr. A. Hidalgo (Secretary of the XXIII QTEL'96) ------------------------------------------------------------------------- From kallies@serv.chem.uni-potsdam.de Tue May 28 06:13:03 1996 Received: from hp.rz.uni-potsdam.de for kallies@serv.chem.uni-potsdam.de by www.ccl.net (8.7.5/950822.1) id GAA15036; Tue, 28 May 1996 06:13:03 -0400 (EDT) Received: from serv.chem.uni-potsdam.de by hp.rz.uni-potsdam.de with SMTP (1.37.109.10G/16.2) id AA147940342; Tue, 28 May 1996 09:59:02 +0200 Received: from pch10.chem.uni-potsdam.de by serv.chem.uni-potsdam.de (AIX 3.2/UCB 5.64/4.03) id AA19368; Tue, 28 May 1996 10:00:24 +0100 Date: Tue, 28 May 1996 10:00:24 +0100 Message-Id: <9605280900.AA19368@serv.chem.uni-potsdam.de> X-Sender: kallies@serv.chem.uni-potsdam.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: csilmt12@area.ba.cnr.it From: "B. Kallies" Subject: Re: autoprotolysis constant of alcohols Cc: chemistry@www.ccl.net Dear Dr. Trotta, Christian Reichardt collected some pK(auto) for amphiprotic solvents in "Solvents and Solvent Effects in Organic Chemistry" 2nd. ed., VCH 1990, p. 431 ff. There will be found for 2 ROH =3D R(OH)2(+) + RO(-) Solvent R pK(auto) at 25=B0C ----------------------------------------- Methanol CH3 17.20 Ethanol C2H5 18.88 1-Propanol C3H7 19.43 1-Butanol C4H9 21.56 1-Pentanol C5H11 20.65 and some others. Original references and some other original literature citations are given, too. Yours sincerely B. Kallies --------------------------------------------------- DC Bernd Kallies Institut fuer Physikalische und Theoretische Chemie Universitaet Potsdam Am Neuen Palais 10 14469 Potsdam GERMANY e-mail: kallies@serv.chem.uni-potsdam.de Fax: ++49 / 0331 977 1315 --------------------------------------------------- From kallies@serv.chem.uni-potsdam.de Tue May 28 06:47:11 1996 Received: from hp.rz.uni-potsdam.de for kallies@serv.chem.uni-potsdam.de by www.ccl.net (8.7.5/950822.1) id GAA15248; Tue, 28 May 1996 06:47:11 -0400 (EDT) Received: from serv.chem.uni-potsdam.de by hp.rz.uni-potsdam.de with SMTP (1.37.109.10G/16.2) id AA147940342; Tue, 28 May 1996 09:59:02 +0200 Received: from pch10.chem.uni-potsdam.de by serv.chem.uni-potsdam.de (AIX 3.2/UCB 5.64/4.03) id AA19368; Tue, 28 May 1996 10:00:24 +0100 Date: Tue, 28 May 1996 10:00:24 +0100 Message-Id: <9605280900.AA19368@serv.chem.uni-potsdam.de> X-Sender: kallies@serv.chem.uni-potsdam.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: csilmt12@area.ba.cnr.it From: "B. Kallies" Subject: Re: autoprotolysis constant of alcohols Cc: chemistry@www.ccl.net Dear Dr. Trotta, Christian Reichardt collected some pK(auto) for amphiprotic solvents in "Solvents and Solvent Effects in Organic Chemistry" 2nd. ed., VCH 1990, p. 431 ff. There will be found for 2 ROH =3D R(OH)2(+) + RO(-) Solvent R pK(auto) at 25=B0C ----------------------------------------- Methanol CH3 17.20 Ethanol C2H5 18.88 1-Propanol C3H7 19.43 1-Butanol C4H9 21.56 1-Pentanol C5H11 20.65 and some others. Original references and some other original literature citations are given, too. Yours sincerely B. Kallies --------------------------------------------------- DC Bernd Kallies Institut fuer Physikalische und Theoretische Chemie Universitaet Potsdam Am Neuen Palais 10 14469 Potsdam GERMANY e-mail: kallies@serv.chem.uni-potsdam.de Fax: ++49 / 0331 977 1315 --------------------------------------------------- From kallies@serv.chem.uni-potsdam.de Tue May 28 07:30:23 1996 Received: from hp.rz.uni-potsdam.de for kallies@serv.chem.uni-potsdam.de by www.ccl.net (8.7.5/950822.1) id HAA16004; Tue, 28 May 1996 07:30:23 -0400 (EDT) Received: from serv.chem.uni-potsdam.de by hp.rz.uni-potsdam.de with SMTP (1.37.109.10G/16.2) id AA147940342; Tue, 28 May 1996 09:59:02 +0200 Received: from pch10.chem.uni-potsdam.de by serv.chem.uni-potsdam.de (AIX 3.2/UCB 5.64/4.03) id AA19368; Tue, 28 May 1996 10:00:24 +0100 Date: Tue, 28 May 1996 10:00:24 +0100 Message-Id: <9605280900.AA19368@serv.chem.uni-potsdam.de> X-Sender: kallies@serv.chem.uni-potsdam.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: csilmt12@area.ba.cnr.it From: "B. Kallies" Subject: Re: autoprotolysis constant of alcohols Cc: chemistry@www.ccl.net Dear Dr. Trotta, Christian Reichardt collected some pK(auto) for amphiprotic solvents in "Solvents and Solvent Effects in Organic Chemistry" 2nd. ed., VCH 1990, p. 431 ff. There will be found for 2 ROH =3D R(OH)2(+) + RO(-) Solvent R pK(auto) at 25=B0C ----------------------------------------- Methanol CH3 17.20 Ethanol C2H5 18.88 1-Propanol C3H7 19.43 1-Butanol C4H9 21.56 1-Pentanol C5H11 20.65 and some others. Original references and some other original literature citations are given, too. Yours sincerely B. Kallies --------------------------------------------------- DC Bernd Kallies Institut fuer Physikalische und Theoretische Chemie Universitaet Potsdam Am Neuen Palais 10 14469 Potsdam GERMANY e-mail: kallies@serv.chem.uni-potsdam.de Fax: ++49 / 0331 977 1315 --------------------------------------------------- From kallies@serv.chem.uni-potsdam.de Tue May 28 08:17:06 1996 Received: from hp.rz.uni-potsdam.de for kallies@serv.chem.uni-potsdam.de by www.ccl.net (8.7.5/950822.1) id IAA17671; Tue, 28 May 1996 08:17:06 -0400 (EDT) Received: from serv.chem.uni-potsdam.de by hp.rz.uni-potsdam.de with SMTP (1.37.109.10G/16.2) id AA147940342; Tue, 28 May 1996 09:59:02 +0200 Received: from pch10.chem.uni-potsdam.de by serv.chem.uni-potsdam.de (AIX 3.2/UCB 5.64/4.03) id AA19368; Tue, 28 May 1996 10:00:24 +0100 Date: Tue, 28 May 1996 10:00:24 +0100 Message-Id: <9605280900.AA19368@serv.chem.uni-potsdam.de> X-Sender: kallies@serv.chem.uni-potsdam.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: csilmt12@area.ba.cnr.it From: "B. Kallies" Subject: Re: autoprotolysis constant of alcohols Cc: chemistry@www.ccl.net Dear Dr. Trotta, Christian Reichardt collected some pK(auto) for amphiprotic solvents in "Solvents and Solvent Effects in Organic Chemistry" 2nd. ed., VCH 1990, p. 431 ff. There will be found for 2 ROH =3D R(OH)2(+) + RO(-) Solvent R pK(auto) at 25=B0C ----------------------------------------- Methanol CH3 17.20 Ethanol C2H5 18.88 1-Propanol C3H7 19.43 1-Butanol C4H9 21.56 1-Pentanol C5H11 20.65 and some others. Original references and some other original literature citations are given, too. Yours sincerely B. Kallies --------------------------------------------------- DC Bernd Kallies Institut fuer Physikalische und Theoretische Chemie Universitaet Potsdam Am Neuen Palais 10 14469 Potsdam GERMANY e-mail: kallies@serv.chem.uni-potsdam.de Fax: ++49 / 0331 977 1315 --------------------------------------------------- From dimitris@3dp.com Tue May 28 08:50:11 1996 Received: from boris.3dp.com for dimitris@3dp.com by www.ccl.net (8.7.5/950822.1) id IAA17794; Tue, 28 May 1996 08:38:58 -0400 (EDT) Received: from europa.3dp.com by boris.3dp.com via SMTP (931110.SGI/930416.SGI) for chemistry@www.ccl.net id AA09439; Tue, 28 May 96 08:44:16 -0400 Received: by europa.3dp.com (940816.SGI.8.6.9) id IAA07482; Tue, 28 May 1996 08:42:07 -0400 From: "Dimitris Agrafiotis" Message-Id: <9605280842.ZM7480@europa.3dp.com> Date: Tue, 28 May 1996 08:42:07 -0400 X-Mailer: Z-Mail (3.2.2 10apr95 MediaMail) To: chemistry@www.ccl.net Subject: SU: fingerprints Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii For those who are interested, my recent posting regarding access to free code for computing molecular fingerprints didn't yield any useful pointers. I appologize for my poor English: by 'public domain' I meant 'free'... Thanks to all who responded. Ciao, -- Dimitris K. Agrafiotis, PhD | e-mail: dimitris@3dp.com Principal Research Scientist | tel: (610) 458-6045 3-Dimensional Pharmaceuticals, Inc. | fax: (610) 458-8249 665 Stockton Drive, Suite 104 Exton, PA 19341 From kallies@serv.chem.uni-potsdam.de Tue May 28 09:05:17 1996 Received: from hp.rz.uni-potsdam.de for kallies@serv.chem.uni-potsdam.de by www.ccl.net (8.7.5/950822.1) id JAA19180; Tue, 28 May 1996 09:05:17 -0400 (EDT) Received: from serv.chem.uni-potsdam.de by hp.rz.uni-potsdam.de with SMTP (1.37.109.10G/16.2) id AA147940342; Tue, 28 May 1996 09:59:02 +0200 Received: from pch10.chem.uni-potsdam.de by serv.chem.uni-potsdam.de (AIX 3.2/UCB 5.64/4.03) id AA19368; Tue, 28 May 1996 10:00:24 +0100 Date: Tue, 28 May 1996 10:00:24 +0100 Message-Id: <9605280900.AA19368@serv.chem.uni-potsdam.de> X-Sender: kallies@serv.chem.uni-potsdam.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To: csilmt12@area.ba.cnr.it From: "B. Kallies" Subject: Re: autoprotolysis constant of alcohols Cc: chemistry@www.ccl.net Dear Dr. Trotta, Christian Reichardt collected some pK(auto) for amphiprotic solvents in "Solvents and Solvent Effects in Organic Chemistry" 2nd. ed., VCH 1990, p. 431 ff. There will be found for 2 ROH =3D R(OH)2(+) + RO(-) Solvent R pK(auto) at 25=B0C ----------------------------------------- Methanol CH3 17.20 Ethanol C2H5 18.88 1-Propanol C3H7 19.43 1-Butanol C4H9 21.56 1-Pentanol C5H11 20.65 and some others. Original references and some other original literature citations are given, too. Yours sincerely B. Kallies --------------------------------------------------- DC Bernd Kallies Institut fuer Physikalische und Theoretische Chemie Universitaet Potsdam Am Neuen Palais 10 14469 Potsdam GERMANY e-mail: kallies@serv.chem.uni-potsdam.de Fax: ++49 / 0331 977 1315 --------------------------------------------------- From grzesb@asp.biogeo.uw.edu.pl Tue May 28 09:50:11 1996 Received: from asp.biogeo.uw.edu.pl for grzesb@asp.biogeo.uw.edu.pl by www.ccl.net (8.7.5/950822.1) id JAA19183; Tue, 28 May 1996 09:04:52 -0400 (EDT) Received: by asp.biogeo.uw.edu.pl (5.61/1.34) id AA22958; Tue, 28 May 96 15:08:15 +0200 From: grzesb@asp.biogeo.uw.edu.pl (Grzegorz Bakalarski) Message-Id: <9605281308.AA22958@asp.biogeo.uw.edu.pl> Subject: color spectrum in InsightII To: chemistry@www.ccl.net Cc: grzesb@asp.biogeo.uw.edu.pl X-Mailer: ELM [version 2.4 PL22] Content-Type: text Dear NeT, I'd like to ask if anyone knows how could I create rainbow color spectrum in InsightII program (from MSI (Biosym)). I'd like to color my slice trough electrostatic potential using rainbow spectrum ( violet, bue , green, yellow, orange, red). Thanks for any suggestions. Best regards. Grzegorz Bakalarski Warsaw University Poland From nauss@ucmod2.che.uc.EDU Tue May 28 10:50:12 1996 Received: from jazz.san.uc.edu for nauss@ucmod2.che.uc.EDU by www.ccl.net (8.7.5/950822.1) id KAA20034; Tue, 28 May 1996 10:32:09 -0400 (EDT) Received: from ucmod2.che.uc.edu by UCBEH.SAN.UC.EDU (PMDF V5.0-7 #7238) id <01I58IAYR1VED6H7R9@UCBEH.SAN.UC.EDU>; Tue, 28 May 1996 10:31:11 -0500 (EST) Received: by ucmod2.che.uc.edu (951211.SGI.8.6.12.PATCH1042/951211.SGI.AUTO) id KAA10442; Tue, 28 May 1996 10:31:26 -0400 Date: Tue, 28 May 1996 10:31:22 -0400 From: nauss@ucmod2.che.uc.EDU (Jeffrey L. Nauss) Subject: InsightII and Irix 6.2 To: DIBUG@sunsite.icm.edu.pl, CHEMISTRY@www.ccl.net Reply-to: Jeffrey.Nauss@UC.EDU Message-id: <9605281031.ZM10440@ucmod2.che.uc.edu> Organization: Dept. Chemistry, University of Cincinnati MIME-version: 1.0 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7BIT Has anyone tried running InsightII with Irix 6.2 yet? Any stories or is it a, hopefully, uneventful OS upgrade? -- Jeff Nauss *********************************************************************** * UU UU Jeffrey L. Nauss, PhD * * UU UU Director, Molecular Modeling Services * * UU UU Department of Chemistry * * UU UU CCCCCCC University of Cincinnati * * UU UU CCCCCCCC Cincinnati, OH 45221-0172 * * UUUU CC * * CC Telephone: 513-556-0148 Fax: 513-556-9239 * * CC * * CCCCCCCC e-mail: Jeffrey.Nauss@UC.Edu * * CCCCCCC URL http://www.che.uc.edu/~nauss * *********************************************************************** From denis@mi.leeds.ac.uk Tue May 28 12:50:14 1996 Received: from gps1.leeds.ac.uk for denis@mi.leeds.ac.uk by www.ccl.net (8.7.5/950822.1) id MAA21089; Tue, 28 May 1996 12:18:07 -0400 (EDT) Received: from mi.leeds.ac.uk (misun1.leeds.ac.uk [129.11.12.221]) by gps1.leeds.ac.uk (8.6.12/8.6.9) with SMTP id RAA20521; Tue, 28 May 1996 17:17:53 +0100 Sender: denis@mi.leeds.ac.uk Message-Id: <31AB272F.41C6@mi.leeds.ac.uk> Date: Tue, 28 May 1996 17:17:51 +0100 From: "Denis M. Bayada" Organization: ICAMS, University of Leeds, UK X-Mailer: Mozilla 2.01 (X11; I; IRIX 5.3 IP22) Mime-Version: 1.0 To: CHEMISTRY@www.ccl.net Cc: chemweb@ic.ac.uk Subject: Molecule Editor in Java Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear all, I have just finished writing a molecule editor in JAVA. If anyone is interested, it is available at : http://www.chem.leeds.ac.uk/ICAMS/people/denis/moledit.html You may freely download the Java source code and modify it. Any comments are indeed welcome. Thank you Denis --------------------------------------------------------------------- Denis M. Bayada e-mail: denis@mi.leeds.ac.uk ICAMS voice: (44) (0)113 233 65 95 School of Chemistry fax: (44) (0)113 233 65 63 University of Leeds http://www.chem.leeds.ac.uk/ICAMS/people/denis Leeds LS2 9JT ENGLAND ... but as I proceeded in my labour, it became every day more horrible and irksome to me. Sometimes I could not prevail on myself to enter my laboratory for several days, and at other times I toiled day and night in order to complete my work. It was, indeed, a filthy process in which I was engaged. Frankenstein (Mary Shelley) --------------------------------------------------------------------- From jkl@ccl.net Tue May 28 14:50:12 1996 Received: from bedrock.ccl.net for jkl@ccl.net by www.ccl.net (8.7.5/950822.1) id OAA22923; Tue, 28 May 1996 14:49:49 -0400 (EDT) Received: from krakow.ccl.net for jkl@ccl.net by bedrock.ccl.net (8.7.5/950822.1) id OAA19782; Tue, 28 May 1996 14:49:47 -0400 (EDT) From: Jan Labanowski Received: for jkl@ccl.net by krakow.ccl.net (8.6.10/920428.1525) id OAA04139; Tue, 28 May 1996 14:49:48 -0400 Date: Tue, 28 May 1996 14:49:48 -0400 Message-Id: <199605281849.OAA04139@krakow.ccl.net> To: chemistry@www.ccl.net Subject: Sorry for multiplies messages Cc: jkl@ccl.net Sorry for seeing several copies of messages on solvents. Seems like machines: serv.chem.uni-potsdam.de and hp.rz.uni-potsdam.de did not know how to stop passing the same message over and over again. Since it happened when I was trying to recover after the previous day, I did not see these spurious messages after too late. I placed uni-potsdam in reject file just in case. Jan jkl@ccl.net From owner-chemistry@ccl.net Tue May 28 19:50:17 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id TAA24968; Tue, 28 May 1996 19:15:24 -0400 (EDT) Received: from phem3 for NETNEWS@UICVM.CC.UIC.EDU by bedrock.ccl.net (8.7.5/950822.1) id TAA23585; Tue, 28 May 1996 19:15:24 -0400 (EDT) Received: from UICVM.CC.UIC.EDU (MAILER@UICVM) by phem3.acs.ohio-state.edu (PMDF V4.2-13 #5888) id <01I590M00SGG8X3GSC@phem3.acs.ohio-state.edu>; Tue, 28 May 1996 19:15:21 EDT Received: from UICVM.UIC.EDU (NJE origin NETNEWS@UICVM) by UICVM.CC.UIC.EDU (LMail V1.2a/1.8a) with BSMTP id 2003; Tue, 28 May 1996 18:15:29 -0500 Date: Tue, 28 May 1996 18:06:31 -0700 From: Anatoli Krassavine Subject: The Orchestration of 3D Molecular Structures in WWW Documents Sender: NETNEWS@UICVM.UIC.EDU To: CHEMISTRY@ccl.net Message-id: <31ABA317.41C6@samson.chem.uic.edu> Organization: U. of Illinois at Chicago X-Envelope-to: CHEMISTRY@ccl.net MIME-version: 1.0 X-Mailer: Mozilla 2.01 (X11; I; IRIX 5.3 IP22) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit Path: uicvm.uic.edu!news.cc.uic.edu!usenet Newsgroups: uic.bit.listserv.chemistry Lines: 48 NNTP-Posting-Host: mephisto.chem.uic.edu Hello, everyone, Take a look at new project for easy, infromative and attractive way to incorporate 3D molecular structures OF ANY SIZE in WWW documents, and do it QUICKLY. The official homepage with latest version is at http://mc.ioc.ac.ru/mc2/viewer/index.htm The above site sometimes has slow connection or down - so you can try mirror site at http://www.ch.ic.ac.uk/java/chemviewer/ What independent rating services told about it: _________________________________________________ Awarded the Coveted COOL Rating by Gamelan and Rated TOP 5% WebApplet by JARS. Also named one of the best Web applets of the year by Gamelan. _________________________________________________ ChemSymphony is a platform independent set of interactive JAVA applets that allows 3-D molecular structures to be easily incorporated into HTML documents. The system understands most of the common file formats. The structures can be manipulated in real time, rendered in a variety of styles, and edited by the user. Other functionality includes the ability to browse through databases of chemical structures as well as interfacing to computational programs. ChemSymphony offers easy and attractive way for new generation of Java-enabled browsers bring molecular modeling into hypertext documents used in both research and the class room Sincerely, Toly -- ______________________________________________________________________ Anatoli O. Krassavine \ My ChemSymphony applet is awarded the kras@nmr1.ioc.ac.ru / coveted COOL rating by GAMELAN and TOP 5% toli@samson.chem.uic.edu \ WebApplet by JARS! / http://mc.ioc.ac.ru/mc2/viewer/index.htm \ http://www.ch.ic.ac.uk/java/chemviewer/ ______________________________________________________________________ Looking for hiring: Java/Java Script/Perl/CGI programming & ^^^^^^^^^^^^^^^^^^ WWW site design ______________________________________________________________________ Program which works properly 90% of the time is 100% useless! ______________________________________________________________________ From gehlhaar@agouron.com Tue May 28 20:50:17 1996 Received: from agouron.com for gehlhaar@agouron.com by www.ccl.net (8.7.5/950822.1) id UAA25454; Tue, 28 May 1996 20:17:43 -0400 (EDT) Received: from hammer by agouron.com via ESMTP (950911.SGI.8.6.12.PATCH825/930901.SGI) for <@agouron.com:CHEMISTRY@www.ccl.net> id RAA18930; Tue, 28 May 1996 17:17:33 -0700 Received: by hammer (950215.SGI.8.6.10/930416.SGI) id RAA07240; Tue, 28 May 1996 17:16:36 -0700 Date: Tue, 28 May 1996 17:16:36 -0700 Message-Id: <199605290016.RAA07240@hammer> From: Dan Gehlhaar To: CHEMISTRY@www.ccl.net Subject: CFP: BioSystems CALL FOR PAPERS SPECIAL ISSUE OF BIOSYSTEMS EVOLUTIONARY COMPUTATION IN BIOCHEMISTRY AND MOLECULAR BIOLOGY Guest Editors: David B. Fogel, Natural Selection, Inc. Daniel K. Gehlhaar, Agouron Pharmaceuticals, Inc. Papers are hereby solicited for a special issue of BioSystems on the use of evolutionary computation to address problems in biochemistry and molecular biology. Authors are invited to submit papers which describe original, unpublished research. Specific topics include but are not limited to the use of evolutionary algorithms in protein and polymer folding, protein structure-function, drug design, flexible and rigid protein and ligand docking, de novo molecular design, genetic sequence alignment, the design of genetic probes, and the identification of sequence function. Hard copies of manuscripts must be received at the address below on or before November 30, 1996. Electronic submissions cannot be accepted. Papers should be clear, concise, and written in English. Papers received after the deadline will be handled as time allows. Submissions should be double-spaced and should follow the Instructions for Authors for the journal BioSystems, which can be found on the web at http://www.natural-selection.com/biosys. Notification of the editor's decisions will be mailed by February 28, 1997. Please send five (5) copies of the complete paper to: David B. Fogel Associate Editor, BioSystems Natural Selection, Inc. 3333 N. Torrey Pines Ct., Suite 200 La Jolla, CA 92037 For further information, please contact the editors at dfogel@natural-selection.com or gehlhaar@agouron.com From toli@samson.CHEM.UIC.EDU Tue May 28 20:54:44 1996 Received: from mephisto.chem.uic.edu for toli@samson.CHEM.UIC.EDU by www.ccl.net (8.7.5/950822.1) id TAA25303; Tue, 28 May 1996 19:58:35 -0400 (EDT) Received: from mephisto by mephisto.chem.uic.edu via SMTP (940816.SGI.8.6.9/930416.SGI.AUTO) for id TAA00009; Tue, 28 May 1996 19:01:59 -0700 Sender: toli@samson.CHEM.UIC.EDU Message-ID: <31ABB015.167E@samson.chem.uic.edu> Date: Tue, 28 May 1996 19:01:57 -0700 From: Anatoli Krassavine Organization: U. of Illinois at Chicago X-Mailer: Mozilla 2.01 (X11; I; IRIX 5.3 IP22) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: The Orchestration of 3D Molecular Structures in WWW Documents Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hello, everyone, Take a look at new project for easy, informative and attractive way to incorporate 3D molecular structures OF ANY SIZE in WWW documents, and do it QUICKLY. The official homepage with latest version is at http://mc.ioc.ac.ru/mc2/viewer/index.htm The above site sometimes has slow connection or down - so you can try mirror site at http://www.ch.ic.ac.uk/java/chemviewer/ What independent rating services told about it: _________________________________________________ Awarded the Coveted COOL Rating by Gamelan and Rated TOP 5% WebApplet by JARS. Also named one of the best Web applets of the year by Gamelan. _________________________________________________ ChemSymphony is a platform independent set of interactive JAVA applets that allows 3-D molecular structures to be easily incorporated into HTML documents. The system understands most of the common file formats. The structures can be manipulated in real time, rendered in a variety of styles, and edited by the user. Other functionality includes the ability to browse through databases of chemical structures as well as interfacing to computational programs. 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