From chemistry-request@server.ccl.net Tue May 8 03:08:04 2001 Received: from mdl.ipc.pku.edu.cn (IDENT:postfix@[162.105.177.40]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f48782I03671 for ; Tue, 8 May 2001 03:08:03 -0400 Received: by mdl.ipc.pku.edu.cn (Postfix, from userid 3200) id 38AA2278E3; Wed, 9 May 2001 07:08:27 +0800 (CST) Received: from localhost (localhost [127.0.0.1]) by mdl.ipc.pku.edu.cn (Postfix) with ESMTP id 35D1A4079 for ; Wed, 9 May 2001 07:08:27 +0800 (CST) Date: Wed, 9 May 2001 07:08:27 +0800 (CST) From: Fenglou Mao To: "CHEMISTRY@www.ccl.net" Subject: chemical database summary Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII can anyone tell me where I can find a recent chemical database summary? -- Sincerely Yours, FengLou Mao ******************************* ADD:Mr. FengLou Mao Institute of Physical Chemistry Peking University BeiJing P.R.China Tel:86-10-62756833 Fax:86-10-62751725 E-mail:mao@mdl.ipc.pku.edu.cn Homepage:http://mdl.ipc.pku.edu.cn/~mao From chemistry-request@server.ccl.net Tue May 8 11:41:22 2001 Received: from mail.iwr.uni-heidelberg.de ([129.206.104.30]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f48FfLI09006 for ; Tue, 8 May 2001 11:41:21 -0400 Received: from kenzo.iwr.uni-heidelberg.de (IDENT:root@kenzo.iwr.uni-heidelberg.de [129.206.120.29]) by mail.iwr.uni-heidelberg.de (8.11.1/8.11.1) with ESMTP id f48FfJY19101 for ; Tue, 8 May 2001 17:41:19 +0200 (MET DST) Received: from localhost (schwarzl@localhost) by kenzo.iwr.uni-heidelberg.de (8.9.3/8.9.3) with ESMTP id RAA22414 for ; Tue, 8 May 2001 17:41:19 +0200 Date: Tue, 8 May 2001 17:41:19 +0200 (CEST) From: "Sonja M. Schwarzl" To: Subject: refs ATP hydrolysis mechanism Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, I am looking for references about theoretical work that has been done on reaction mechanism and energy calculations on ATP hydrolysis in vacuum / solution / enzymes. I'd greatly appreciate any recommendations. Thanks, Sonja _______________________________________________________________________ Sonja M. Schwarzl sonja.schwarzl@iwr.uni-heidelberg.de IWR - Biocomputing Im Neuenheimer Feld 368 Tel.: +49/6221/54-8801 69120 Heidelberg Fax: +49/6221/54-8868 Germany _______________________________________________________________________ From chemistry-request@server.ccl.net Tue May 8 16:20:31 2001 Received: from lauca.usach.cl ([158.170.64.28]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f48KKKI21483 for ; Tue, 8 May 2001 16:20:23 -0400 Received: from lauca.usach.cl ([158.170.51.105]) by lauca.usach.cl (8.10.0.Beta12/8.10.0.Beta10) with ESMTP id f48KHhW08426 for ; Tue, 8 May 2001 16:17:46 -0400 (CST) Message-ID: <3AF85570.D13C9F90@lauca.usach.cl> Date: Tue, 08 May 2001 16:22:09 -0400 From: Danilo Gonzalez X-Mailer: Mozilla 4.73 [en] (Win98; I) X-Accept-Language: en MIME-Version: 1.0 To: "chemistry@ccl.net" Subject: Inserting water molecules to protein Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi Folks! Any body know where I can find the Hydras program (for insert water molecules to a protein) ? thanks a lot! Danilo Gonzalez-Nilo Universidad de Santiago de Chile Facultad de Quimica y Biologia From chemistry-request@server.ccl.net Tue May 8 13:27:07 2001 Received: from hotmail.com ([64.4.19.126]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f48HR7I23546 for ; Tue, 8 May 2001 13:27:07 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Tue, 8 May 2001 10:27:00 -0700 Received: from 154.11.95.122 by lw12fd.law12.hotmail.msn.com with HTTP; Tue, 08 May 2001 17:27:00 GMT X-Originating-IP: [154.11.95.122] From: "kaci Tizi-Ouzou" To: chemistry@ccl.net Subject: Spectrum unmixing algorithm/code Date: Tue, 08 May 2001 17:27:00 -0000 Mime-Version: 1.0 Content-Type: text/plain; format=flowed Message-ID: X-OriginalArrivalTime: 08 May 2001 17:27:00.0319 (UTC) FILETIME=[16E7F6F0:01C0D7E4] Greetings all, Does anybody know about any code, references, algorithms for spectra unmixing ? Thanks all. _________________________________________________________________________ Get Your Private, Free E-mail from MSN Hotmail at http://www.hotmail.com.