Everyone, I was talking with a colleague earlier today about nucleophiles and electrophiles and how to visualize these in modeling programs. Of course one could map electrostatic potential onto a surface. Often times it is difficult though to clearly see where the nucleophilic and electrophilic sites are in the molecule. We were wondering if it might be possible to not only map a color to the surface but also adjust the size of the surface according to electrostatic potential. In other words, the higher the potential the further the surface extends from the nucleus up to a limit of the Van der Waals radius. Thus an electrophilic site would not only be appropriately colored, but it would also be larger than sites with little potential and the same for nucleophilic sites.
So has anyone ever seen something like this? Would it be possible? Would it even be desirable or is this something better left not done? Jeff *********************************************** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 [email protected] *********************************************** ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
