From ipcakc@vigyan.iisc.ernet.in Sat May 20 02:23:13 1995 Received: from sangam.ncst.ernet.in for ipcakc@vigyan.iisc.ernet.in by www.ccl.net (8.6.10/930601.1506) id CAA26962; Sat, 20 May 1995 02:17:02 -0400 From: Received: from soochak.ncst.ernet.in (soochak.ncst.ernet.in [144.16.11.100]) by sangam.ncst.ernet.in (8.6.12/8.6.6) with ESMTP id LAA10950 for ; Sat, 20 May 1995 11:46:24 +0530 Received: from iisc.ernet.in (iisc.iisc.ernet.in [144.16.64.3]) by soochak.ncst.ernet.in (8.6.8.1/8.6.5) with SMTP id LAA24192 for ; Sat, 20 May 1995 11:45:57 +0530 Received: from vigyan.UUCP by iisc.ernet.in (ERNET-IISc/SMI-4.1) id AA15937; Sat, 20 May 95 11:50:40+0530 Received: by vigyan.iisc.ernet.in (smail2.3) id AA04059; 20 May 95 11:31:41 EST (Sat) To: CHEMISTRY@ccl.net Subject: regarding mol.biology.. Cc: naseer@soochak.ncst.ernet.in, r@soochak.ncst.ernet.in Date: 20 May 95 11:31:41 EST (Sat) Message-Id: <9505201131.AA04059@vigyan.iisc.ernet.in> Herewith, I am interested to know whether there exists any place where if I pose a question in biology (like for chemistry chemistry@ccl.net is there) that it will get distributed among the bio-chemists? Please let me know the corresponding place like "osc". Thanking you all in advance. (I am anyhow appending my question below) naseer From toukie@zui.unizh.ch Sat May 20 10:38:17 1995 Received: from rzusuntk.unizh.ch for toukie@zui.unizh.ch by www.ccl.net (8.6.10/930601.1506) id KAA29220; Sat, 20 May 1995 10:29:03 -0400 Received: by rzusuntk.unizh.ch (4.1/SMI-4.1.9) id AA08897; Sat, 20 May 95 16:29:01 +0200 X-Nupop-Charset: Swiss Date: Sat, 20 May 1995 15:27:12 +0100 (MET) From: "Hr. Dr. S. Shapiro" Sender: toukie@zui.unizh.ch Reply-To: toukie@zui.unizh.ch Message-Id: <55633.toukie@zui.unizh.ch> To: chemistry@ccl.net Subject: SEAL Dear Colleagues; If anyone out there in CCL-land has had any experience running SEAL (Kearsley and Smith's Steric and Electronic Alignment programme, available from the QCPE) as a stand-alone programme, kindly contact me. Thnaks in advance to all responders. Sincerely, S. Shapiro ZH toukie@zui.unizh.ch From qocruces@usc.es Sat May 20 11:08:20 1995 Received: from uscmail.usc.es for qocruces@usc.es by www.ccl.net (8.6.10/930601.1506) id KAA29458; Sat, 20 May 1995 10:57:26 -0400 Received: by uscmail.usc.es (5.67b/1.34) id AA02016; Sat, 20 May 1995 17:01:33 +0200 Date: Sat, 20 May 1995 17:01:33 +0200 From: qocruces@usc.es (Jacobo Cruces Colado) Message-Id: <199505201501.AA02016@uscmail.usc.es> To: chemistry@ccl.net Subject: What's the TNDO? Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii In the demo version of HyperNMR, by Hypercube, the quantum mechanics calculations of shielding and coupling constants are made by a method called TNDO (Typed Neglect of Differential Overlap). Does somebody know how this method works, and how is it parametrized? From jkl@ccl.net Sat May 20 11:23:18 1995 Received: for jkl@ccl.net by www.ccl.net (8.6.10/930601.1506) id LAA29689; Sat, 20 May 1995 11:22:27 -0400 Date: Sat, 20 May 1995 11:22:27 -0400 From: Jan Labanowski Message-Id: <199505201522.LAA29689@www.ccl.net> To: chemistry@ccl.net Subject: Re: CCL:regarding mol.biology.. In-Reply-To: Mail from '' dated: 20 May 95 11:31:41 EST (Sat) Cc: jkl@ccl.net > Herewith, I am interested to know whether there exists any place where > if I pose a question in biology (like for chemistry chemistry@ccl.net is there) > that it will get distributed among the bio-chemists? The list of chemistry (and other) related groups can be retrieved from CCL archives on www.ccl.net in /pub/chemistry/info/electronic-lists via ftp. Alternatively by sending a message: select chemistry cd info/electronic-lists ls -R get chemistry-related-lists quit to MAILSERV@ccl.net. You can also access CCL archives via Web: http://www.ccl.net/chemistry.html. There is also a link to http://bionmr1.rug.ac.be/chemistry/overview.html Your best bet would be a BioNet which is described in these documents. Jan Labanowski jkl@ccl.net From rochus@felix.anorg.chemie.tu-muenchen.de Sat May 20 12:23:19 1995 Received: from felix.anorg.chemie.tu-muenchen.de for rochus@felix.anorg.chemie.tu-muenchen.de by www.ccl.net (8.6.10/930601.1506) id MAA00136; Sat, 20 May 1995 12:17:14 -0400 Received: by felix.anorg.chemie.tu-muenchen.de (940816.SGI.8.6.9/930416.SGI) for chemistry@ccl.net id SAA12749; Sat, 20 May 1995 18:16:15 +0200 Date: Sat, 20 May 1995 18:16:15 +0200 From: rochus@felix.anorg.chemie.tu-muenchen.de (Rochus Schmid) Message-Id: <199505201616.SAA12749@felix.anorg.chemie.tu-muenchen.de> To: chemistry@ccl.net Subject: Molecular Mechanics program in C Dear CCL:ers, Does anyone of you know a (PD) Molecular Mechanics program written in C with the source code freely available? It can be any simple diagonal forcefield together with any optimizer. I just want to plug some extra terms in and test them. Many thanks in advance to all responders. Greetings, Rochus Schmid Please mail to: rochus@felix.anorg.chemie.tu-muenchen.de ******************************************************************************** Rochus Schmid Technische Universitaet Muenchen Tel. ++49 89 3209 3140 Anorganisch Chemisches Institut 1 Fax. ++49 89 3209 3473 Prof. W. A. Herrmann E-mail: Lichtenbergstrasse 4 rochus@felix.anorg.chemie.tu-muenchen.de 85747 Garching ********************************************************************************