From chemistry-request@server.ccl.net Sat Nov 6 08:56:23 1999 Received: from mail-d.bcc.ac.uk (mail-d.bcc.ac.uk [144.82.100.24]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id IAA30466 for ; Sat, 6 Nov 1999 08:56:23 -0500 Received: from dns (actually host oganov-jpb98.geol.ucl.ac.uk) by mail-d.bcc.ac.uk with SMTP (XT-PP); Sat, 6 Nov 1999 13:49:53 +0000 Message-ID: <001a01bf285e$9a95ab00$072c2880@ucl.ac.uk> Reply-To: "Artem R. Oganov" From: "Artem R. Oganov" To: chemistry Subject: animation of MD trajectories Date: Sat, 6 Nov 1999 13:55:36 -0000 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2615.200 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2615.200 Dear CCL'ers, I am looking for a program to animate MD trajectories, with polyhedral representation of crystal structures. I shall be grateful for any suggections, and summarise them. Also, does anyone know what is the Web-site of Babel? Cheers, Artem. ********************************************************************** Artem R. Oganov, Doctorate Student in Crystallography and Mineral Physics, Dept. of Geological Sciences, University College London, Gower Street, London WC1E 6BT, U.K. E-mail : a.oganov@ucl.ac.uk Tel. : +44 (0)171-419-3449 Fax : +44 (0)171-387-1612 ********************************************************************** From chemistry-request@server.ccl.net Sat Nov 6 08:54:32 1999 Received: from mail-d.bcc.ac.uk (mail-d.bcc.ac.uk [144.82.100.24]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id IAA30446 for ; Sat, 6 Nov 1999 08:54:27 -0500 Received: from dns (actually host oganov-jpb98.geol.ucl.ac.uk) by mail-d.bcc.ac.uk with SMTP (XT-PP); Sat, 6 Nov 1999 13:48:16 +0000 Message-ID: <000e01bf285e$60691700$072c2880@ucl.ac.uk> Reply-To: "Artem R. Oganov" From: "Artem R. Oganov" Original-To: > PP-Warning: Parse error in original version of preceding To line Subject: CCL: animation of MD trajectories Date: Sat, 6 Nov 1999 13:53:59 -0000 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2615.200 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2615.200 Dear CCL'ers, I am looking for a program to animate MD trajectories, with polyhedral representation of crystal structures. I shall be grateful for any suggections, and summarise them. Also, does anyone know what is the Web-site of Babel? Cheers, Artem. ********************************************************************** Artem R. Oganov, Doctorate Student in Crystallography and Mineral Physics, Dept. of Geological Sciences, University College London, Gower Street, London WC1E 6BT, U.K. E-mail : a.oganov@ucl.ac.uk Tel. : +44 (0)171-419-3449 Fax : +44 (0)171-387-1612 ********************************************************************** From chemistry-request@server.ccl.net Sat Nov 6 11:33:01 1999 Received: from atom.cem.uct.ac.za (atom.cem.uct.ac.za [137.158.165.198]) by server.ccl.net (8.8.7/8.8.7) with SMTP id LAA31146 for ; Sat, 6 Nov 1999 11:32:57 -0500 Received: from nitrogen.cem.uct.ac.za (nitrogen.cem.uct.ac.za [137.158.165.214]) by atom.cem.uct.ac.za (950413.SGI.8.6.12/950213.SGI.AUTOCF) via ESMTP id KAA04529; Sat, 6 Nov 1999 10:23:52 -0600 Date: Sat, 6 Nov 1999 08:23:52 -0800 From: "Robert B. Best" To: "Artem R. Oganov" cc: chemistry Subject: Re: CCL:animation of MD trajectories In-Reply-To: <001a01bf285e$9a95ab00$072c2880@ucl.ac.uk> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII A good program for displaying trajectories and doing analysis is gopenmol, available from http://laaksonen.csc.fi/gopenmol. Although the emphasis is on analysis of amorphous systems, there is a facility for drawing cubic cells, and you can draw any kind of cell using the built-in tcl scripting. Of course there are crystallographic programs which make the cell drawing easier, but I don't know of any that have the ability to display trajectories as well. -robert On Sat, 6 Nov 1999, Artem R. Oganov wrote: > Dear CCL'ers, > > I am looking for a program to animate MD trajectories, with polyhedral > representation of crystal structures. I shall be grateful for any > suggections, and summarise them. Also, does anyone know what is the > Web-site > of Babel? Cheers, > Artem. > > ********************************************************************** > Artem R. Oganov, > Doctorate Student in Crystallography and Mineral Physics, > Dept. of Geological Sciences, > University College London, > Gower Street, > London WC1E 6BT, > U.K. > E-mail : a.oganov@ucl.ac.uk > Tel. : +44 (0)171-419-3449 Fax : +44 (0)171-387-1612 > ********************************************************************** > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > >