From chemistry-request@ccl.net Mon Mar 22 06:41:02 2004 Received: from shiva.jussieu.fr (shiva.jussieu.fr [134.157.0.129]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i2MBf1js008626 for ; Mon, 22 Mar 2004 06:41:02 -0500 Received: from ds10.itodys.jussieu.fr (ds10.itodys.jussieu.fr [134.157.24.13]) by shiva.jussieu.fr (8.12.10/jtpda-5.4) with ESMTP id i2MBhjDx041324 for ; Mon, 22 Mar 2004 12:43:45 +0100 (CET) X-Ids: 167 Received: by ds10.itodys.jussieu.fr (8.12.1/1.1.2.11/09Jul02-1200PM) id i2MBheJ1423763; Mon, 22 Mar 2004 12:43:40 +0100 (MET) Date: Mon, 22 Mar 2004 12:43:40 +0100 (MET) From: Michel Petitjean Message-Id: <200403221143.i2MBheJ1423763_at_ds10.itodys.jussieu.fr> To: chemistry_at_ccl.net Subject: CCL:Re: superimpose small molecule program X-Miltered: at shiva.jussieu.fr with ID 405ED171.000 by Joe's j-chkmail (http://j-chkmail.ensmp.fr)! X-Antivirus: scanned by sophie at shiva.jussieu.fr X-Spam-Status: No, hits=1.1 required=7.0 tests=MAILTO_TO_SPAM_ADDR autolearn=no version=2.61 X-Spam-Level: * X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net To: Richard Wood Subject: CCL:superimpose small molecule program Richard, I have never used Cygwin, but the linux version of CSR should work with it. Michel Petitjean wrote: >To: chemistry_at_ccl.net >Subject: CCL:superimpose small molecule program > >Look to the freeware CSR. Program, documentation, refernces: >http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#CSR > >Michel Petitjean, Email: petitjean_at_itodys.jussieu.fr >ITODYS (CNRS, UMR 7086) ptitjean_at_ccr.jussieu.fr >http://petitjeanmichel.free.fr/itoweb.petitjean.html From chemistry-request@ccl.net Mon Mar 22 12:05:25 2004 Received: from web40209.mail.yahoo.com (web40209.mail.yahoo.com [66.218.78.70]) by server.ccl.net (8.12.8/8.12.8) with SMTP id i2MH5Njs029417 for ; Mon, 22 Mar 2004 12:05:23 -0500 Message-ID: <20040322165130.71849.qmail/at/web40209.mail.yahoo.com> Received: from [80.126.14.200] by web40209.mail.yahoo.com via HTTP; Mon, 22 Mar 2004 08:51:30 PST Date: Mon, 22 Mar 2004 08:51:30 -0800 (PST) From: Marc de Jonge Subject: CCL: Re: Recommendations for stereo monitors... To: CHEMISTRY/at/ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Rachelle Bienstock wrote: >Does anyone have any recommendations regarding monitors >for good stereo display for use with an Nvidia Quadro4 >980 XGL card on a Linux workstation? In understand that >LCD monitors are not capable of stereo output display, >is this correct? Most high-end CRT monitors will work, but you will need a high refresh rate (120Hz=60Left+60Right) to reduce flickering. We have standard Dell 21" CRT monitors here doing 1600x1200@120Hz. Active stereo is not possible with the current LCD's because the screens are too slow. ===== Marc de Jonge __________________________________ Do you Yahoo!? Yahoo! Finance Tax Center - File online. File on time. http://taxes.yahoo.com/filing.html From chemistry-request@ccl.net Mon Mar 22 11:11:20 2004 Received: from mail.gmx.net (mail.gmx.de [213.165.64.20]) by server.ccl.net (8.12.8/8.12.8) with SMTP id i2MGBIjs023916 for ; Mon, 22 Mar 2004 11:11:19 -0500 Received: (qmail 27285 invoked by uid 65534); 22 Mar 2004 16:14:02 -0000 Received: from itbntw37.biologie.uni-stuttgart.de (EHLO itbntw37) (129.69.145.127) by mail.gmx.net (mp022) with SMTP; 22 Mar 2004 17:14:02 +0100 X-Authenticated: #22513021 From: "Alexander Steudle" To: "Computational Chemistry List" Subject: dipole calculations with delphi? Date: Mon, 22 Mar 2004 17:14:02 +0100 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.6604 (9.0.2911.0) X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 Importance: Normal X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi, I am using delphi for the calculation of the electrostatic potential of proteins. Now I require the vector of the dipole (or maybe quadrupole) momentum of the proteins. Is there a way to get it out of the delphi output? Does anybody know another program which can give me this information? Thanks in advance, Alex ----------------------------------- Alexander Steudle Institute of Technical Biochemistry University of Stuttgart