On Tue, November 4, 2008 3:23 pm, Thomas Stout wrote: >[snip] > here. The basic premise was: if two appropriate heteroatoms are spatially > located within a set range of separations (1.8-3.4A) and disposed to one > another within a certain angular spread (120-180 degrees) relative to the
I think you have a typo Tom. No two heavy atoms that are H-bonded are going to be 1.8 A apart. That is *way* to close and indicative of a problem in atom positioning. Rich ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users