From owner-chemistry ^at^ ccl.net Mon Jan 8 12:16:48 1996 Received: from bedrock.ccl.net for owner-chemistry ":at:" ccl.net by www.ccl.net (8.6.10/950822.1) id MAA13493; Mon, 8 Jan 1996 12:11:02 -0500 Received: from monge.brunel.ac.uk for Jeffrey.Gosper.,at,.brunel.ac.uk by bedrock.ccl.net (8.7.1/950822.1) id MAA20277; Mon, 8 Jan 1996 12:10:57 -0500 (EST) Received: from chem-pc-18.brunel.ac.uk by monge.brunel.ac.uk with SMTP (PP) id <01254-0 /at\monge.brunel.ac.uk>; Mon, 8 Jan 1996 17:00:12 +0000 Date: Mon, 8 Jan 1996 16:59:57 GMT From: Jeffrey J Gosper Reply-To: Jeffrey.Gosper _-at-_)brunel.ac.uk Subject: Re: CCL:xmol for MS-Windows? To: Tony Dyson cc: Computational Chemistry List Message-ID: Priority: Normal MIME-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Dear Anthony and other computational chemists. > I'm looking for a MS-Windows program that has the functionality of xmol - > specifically, the ability to animate multi-step cartesian trajectories. > Has anybody come across such a thing? It need not be free. > I have developed just such a program called Re_View. The major input type is a multistructure XYZ file but it will also accept certain MOPAC output files directly. OVERVIEW RE_VIEW is essentially a molecular viewer, animator, analyzer, and MOPAC reaction path converter. The program runs under Windows 3.x and Windows 95, and although the program definitely benefits from 8 Mbytes (or even more memory) the minimum recommended memory is 4 Mbytes. The major functions of RE_VIEW include the ability to: 1) Display and manipulate molecules in 3D; 2) Animate reaction pathways; 3) Align the steps/frames within an animation, along a vectors or onto a plane; 4) Animate normal modes of vibration; 5) Monitor geometries (lengths, angles and dihedrals); 6) Provide tabulated geometrical data (which can be readily incorporated into spreadsheets) and graphical displays of such geometrical data; and 7) Automatically produce high quality 'ray-traced' images and animation sequences. I am distributing the program directly at present the cost is 50 pounds (GB) for a single user licence and 500 pounds for a departmental licence. For this you get the program, help file, a number of data files and a manual. Feel free to contact me for further information. /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ Dr. Jeff Gosper Dept. of Chemistry BRUNEL University Uxbridge Middx UB8 3PH, UK voice: 01895 274000 x2187 facsim: 01895 256844 internet/email/work: Jeffrey.Gosper;at;brunel.ac.uk internet/WWW: http://http2.brunel.ac.uk:8080/~castjjg \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/