From chemistry-request*- at -*server.ccl.net Mon Nov 18 11:36:25 2002 Received: from travelers.mail.cornell.edu ([132.236.56.13]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id gAIGaOu28117 for ; Mon, 18 Nov 2002 11:36:24 -0500 Received: from travelers.mail.cornell.edu (travelers.mail.cornell.edu [132.236.56.13]) by travelers.mail.cornell.edu (8.9.3/8.9.3) with SMTP id LAA17974 for ; Mon, 18 Nov 2002 11:36:18 -0500 (EST) Date: Mon, 18 Nov 2002 11:36:17 -0500 (EST) From: jdg9%!at!%cornell.edu X-Sender: jdg9 # - at - # travelers.mail.cornell.edu To: chemistry*- at -*ccl.net Subject: CCL: Qmol and PrestoPlot Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII There are new versions of both Qmol (a molecular viewer for windows) and PrestoPlot (a graphing/plotting program for windows) available for download from the Shalloway Lab at Cornell University: http://www.mbg.cornell.edu/shalloway/shalloway.html Here are the improvements: Qmol: (1) Import multiple structures in a pdb file as a molecular trajectory (for animation) (2) Read multiple structures/trajectories. Each structure can be rendered and adjusted independently. (3) Calculate the RMSD between two structures. (4) Align two molecules by rigid-body translation and rotation. (5) Measurement, hydrogen bond determination and RMSD calculation can all be performed in "real" time (i.e. move a molecule and watch dependant values change). (6) Numerous bug fixes! PrestoPlot: (1) Import and export audio data in the WAVE format. (2) Numerous bug fixes. While I am no longer at Cornell, I will support these programs in my spare time. Bug reports and questions may be sent to jdg9:~at~:cornell.edu. Regards, Jason Gans, PhD