On 29-2-2008 12:59, Bob Hanson wrote: > Pat, > > VDW radii are used for many things, not just spacefill. So I'm reticent > to do any global change to any of these numbers. But, yes, that's an > issue. Let's discuss it again. > > [snip] > Options include: > a) include one or more optional sets of VDW radii > b) include the option for the user to set individual VDW radii > c) leave as is -- just defining the spacefill as you suggest, one > element at a time > > > >> I vote for a, b and part of c. >> Put the openbabel and the Bondi values in as available sets. Allow the user to specify a set either as a complete replacement for the defaults or just a partial overwrite of one of them. Still permit element by element definition.
Rich >> > > > ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
