-----Original Message----- From: Christoph Steinbeck [mailto:[EMAIL PROTECTED] Sent: 31 March 2004 15:51 To: [EMAIL PROTECTED] Subject: Re: [Jmol-users] Re: sculpt mode in Chime
>>IIRC, Sculpt mode in Chime also allows for performing energy >>minimization, too. in other words, drag parts of the structure to forkm >>a new conformation, and Sculpt will 'tweak' the structure to the lowest >>possible overall energy state. > > > OK, that sounds pretty cool ... but it also sounds somewhat complicated. It is - and it's a real killer feature not only for educational applications. It pure fun (at least for a chemist :)) to watch the thingy work. It almost feels as if you had a model in your hand, but one which knows how to snap into chemically "right" positions. *Have you tried it on an interactive whiteboard? Near-as-dammit to a 3-foot wide model hovering in space for you! Ewen On the long run, we could use our current energy minimization code for this. Cheers, Chris -- Dr. rer. nat. habil. Christoph Steinbeck ([EMAIL PROTECTED]) Groupleader Junior Research Group for Applied Bioinformatics Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de) Z�lpicher Str. 47, 50674 Cologne Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id70&alloc_id638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id70&alloc_id638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
