From chemistry-request@server.ccl.net Thu May 13 06:23:58 1999 Received: from oxmail.ox.ac.uk (oxmail2.ox.ac.uk [163.1.2.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA19166 for ; Thu, 13 May 1999 06:23:56 -0400 Received: from ermine.ox.ac.uk ([163.1.2.13]) by oxmail.ox.ac.uk with esmtp (Exim 2.10 #1) id 10hsbO-0004sw-00 for CHEMISTRY@ccl.net; Thu, 13 May 1999 11:20:30 +0100 Received: from ivan (helo=localhost) by ermine.ox.ac.uk with local-smtp (Exim 2.12 #1) id 10hsbO-0004mP-00 for CHEMISTRY@ccl.net; Thu, 13 May 1999 11:20:30 +0100 Date: Thu, 13 May 1999 11:20:30 +0100 (BST) From: "Ivan I. Oleinik" To: CHEMISTRY@ccl.net Subject: MSI .msi structure file Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, Does anybody know sructure and content of the MSI Cerius2 .msi structure file? I could not find info about this in offical documentation provided by MSI. Ivan Oleinik. ------------------------------------------------------------------------ Ivan I. Oleinik E-mail : ivan.oleinik@materials.ox.ac.uk Department of Materials University of Oxford Parks Road Oxford OX1 3PH Tel : +44 (0)1865 283325 United Kingdom Fax : +44 (0)1865 273764 ------------------------------------------------------------------------ From chemistry-request@server.ccl.net Thu May 13 03:16:57 1999 Received: from mail.sun.ac.za (mail.sun.ac.za [146.232.128.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id DAA17640 for ; Thu, 13 May 1999 03:16:52 -0400 Received: from land.sun.ac.za ([146.232.216.2]) by mail.sun.ac.za with esmtp (Exim 2.10 #1) id 10hpgL-0005EX-00; Thu, 13 May 1999 09:13:25 +0200 Received: from SUN_LAND/SpoolDir by land.sun.ac.za (Mercury 1.44); 13 May 99 09:13:05 +0200 Received: from SpoolDir by SUN_LAND (Mercury 1.44); 13 May 99 09:12:53 +0200 Received: from maties.sun.ac.za (146.232.209.1) by land.sun.ac.za (Mercury 1.44) with ESMTP; 13 May 99 09:12:46 +0200 Sender: jan@sun.ac.za Message-ID: <373A6D95.E72C1AA9@maties.sun.ac.za> Date: Thu, 13 May 1999 09:13:41 +0300 From: Jan Dillen Reply-To: jlmd@maties.sun.ac.za Organization: University of Stellenbosch X-Mailer: Mozilla 4.07C-SGI [en] (X11; I; IRIX 6.5 IP32) MIME-Version: 1.0 To: CHEMISTRY@ccl.net CC: Amit Kulkarni Subject: Re: CCL:Animations in Power Point References: <3736B0C3.167E@originqf.uib.es> <199905121931.OAA29161@email1.cc.uic.edu> Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Amit Kulkarni wrote: > > How do you import the moving object from weblab viewer to powerpoint? > > At 07:52 AM 5/12/99 +0300, Jan Dillen wrote: > >Juan Frau Munar wrote: > >> > >> Hello everybody > >> > >> I would like to have an active molecule in a Power Point´s slide. We > >> would like to get the molecule rotating 360º during the presentation. > >> It is something similar to the animations we can see on the web (MDL > >> format). Any ideas? > >> > >Try MSI's WebLab Viewer (http://www.msi.com). > > > >Greetings > > > >Jan Dillen. 1. I am using the "ViewerPro" version. You pay for it, but I find it a good investment. My understanding is that the difference with the free "ViewerLite" version is that the latter does not have the capability to sketch & build molecules. 2. Load (or build) the molecule in WebLab 3. Select it 4. Edit:Copy 5. Go to Powerpoint 6. Edit:Paste Special. This inserts an OLE object. 7. Selecting the OLE object activates WebLab in the background. You can now rotate, zoom, translate and even sketch (at least with ViewerPro). Jan. From chemistry-request@server.ccl.net Thu May 13 05:21:26 1999 Received: from mail.sun.ac.za (mail.sun.ac.za [146.232.128.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA18767 for ; Thu, 13 May 1999 05:21:23 -0400 Received: from land.sun.ac.za ([146.232.216.2]) by mail.sun.ac.za with esmtp (Exim 2.10 #1) id 10hrcj-00050O-01; Thu, 13 May 1999 11:17:49 +0200 Received: from SUN_LAND/SpoolDir by land.sun.ac.za (Mercury 1.44); 13 May 99 11:17:29 +0200 Received: from SpoolDir by SUN_LAND (Mercury 1.44); 13 May 99 11:17:18 +0200 Received: from maties.sun.ac.za (146.232.209.1) by land.sun.ac.za (Mercury 1.44) with ESMTP; 13 May 99 11:17:13 +0200 Sender: jan@sun.ac.za Message-ID: <373A8AC2.149AC479@maties.sun.ac.za> Date: Thu, 13 May 1999 11:18:10 +0300 From: Jan Dillen Reply-To: jlmd@maties.sun.ac.za Organization: University of Stellenbosch X-Mailer: Mozilla 4.07C-SGI [en] (X11; I; IRIX 6.5 IP32) MIME-Version: 1.0 To: Amit Kulkarni CC: CHEMISTRY@ccl.net Subject: Re: CCL:Animations in Power Point References: <3736B0C3.167E@originqf.uib.es> <199905121931.OAA29161@email1.cc.uic.edu> Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Amit Kulkarni wrote: > > How do you import the moving object from weblab viewer to powerpoint? > > At 07:52 AM 5/12/99 +0300, Jan Dillen wrote: > >Juan Frau Munar wrote: > >> > >> Hello everybody > >> > >> I would like to have an active molecule in a Power Point´s slide. We > >> would like to get the molecule rotating 360º during the presentation. > >> It is something similar to the animations we can see on the web (MDL > >> format). Any ideas? > >> > >Try MSI's WebLab Viewer (http://www.msi.com). As an afterthought I should add that my copy & paste solution may give you too much of an "active" molecule. I you only want a rotating molecule without any need for additional manipulation, then an animated GIF should do the trick. I have used WWW Gif Animator 1.1 in the past, and it works well. Jan. From chemistry-request@server.ccl.net Thu May 13 09:18:47 1999 Received: from mailhost.rdg.ac.uk (exim@sumh1.rdg.ac.uk [134.225.16.4]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA20974 for ; Thu, 13 May 1999 09:18:45 -0400 Received: from suma3 ([134.225.16.13]) by mailhost.rdg.ac.uk with esmtp (University of Reading Email Service) id {10hvKW-0005Q0-00} for CHEMISTRY@ccl.net; Thu, 13 May 1999 14:15:16 +0100 Date: Thu, 13 May 1999 14:15:14 +0100 (BST) From: "l.r.cooper" To: CCL Subject: PDB superimpose & rmsd Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from QUOTED-PRINTABLE to 8bit by server.ccl.net id JAA20975 hello all, does anyone have a piece of c code which takes two PDB files, superimposes them by least squares fit then reports their RMSD in angstroms? will summarize //=\Mr. Lee R. Cooper Bsc(Hons) MSc, Parallel, Emergent//=\evolution, \=//& Distributed Architechture Laboratory, Dept. of \=//creationists //=\Comp. Science, University of Reading, Whiteknights //=\have argued, \=//PoBox 225, Reading, Berkshire. RG6 6AY (UK) \=/was as likely //=\Tel +44 (0)118 987 5123 x7645 (0915-1700)|Fax //=to have made \=//Tel +44 (0)118 931 8188 x7817 (1900-2300)|0118 975 \=//man as a //=\http://www.rdg.ac.uk/~ssr97lrc/ 1994 //=\monkey..., randomly typing the bible without error. with natural selection acting as an eraser of mistakes; assuming thirteen mistakes for every correct character & a rate of 1 keystroke per second, the 6 million characters of the holy script could be typed in 13x6e6 s, or <3 yrs. From chemistry-request@server.ccl.net Thu May 13 17:42:25 1999 Received: from mail.chem.tamu.edu (mail.chem.tamu.edu [165.91.176.8]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id RAA27149 for ; Thu, 13 May 1999 17:42:24 -0400 Received: from mail.chem.tamu.edu ([165.91.176.116]) by mail.chem.tamu.edu (Netscape Messaging Server 3.62) with ESMTP id 253 for ; Thu, 13 May 1999 16:40:56 -0500 Sender: "Ping Lin" Message-ID: <373B466E.89DB221E@mail.chem.tamu.edu> Date: Thu, 13 May 1999 16:38:54 -0500 From: Ping Lin X-Mailer: Mozilla 4.51 [en] (X11; I; IRIX64 6.2 IP28) X-Accept-Language: en MIME-Version: 1.0 To: CCL Subject: CCL: high quality basis sets for heavy atoms Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi, all, I am looking for high quality basis sets for some heavy atoms, including Br, I, Kr, Xe etc. There are some ECP basis sets available. But I am wondering if there is other full electron basis set other than 3-21G. There might have been some discussion before, but I could not find the specific information from the archieves. I will summarize upon request. Thanks, Ping Lin