> So Open Babel makes another quick pass to ensure atoms do not exceed > their typical valency. If they do, the longest "bond" is killed.
Well, then I guess I may have to introduce that. > But your question is "why are there nonzero covalent radii for noble > gases?" Well, for one, there are noble gas compounds! Xenon is the most > prolific, but other noble gas compounds have been discovered. OK ... learn something every day :-) > So my suggestion is that for a number of reasons, an "autobonding" > algorithm needs to be more complex than just a nearest-neighbor search. > But I can't imagine that this introduces a significant time delay in > practice. I�m certainly not concerned about processing time ... I have been concerned about my implementation time :-) Miguel ----- Open Source Molecular Visualization www.jmol.org [EMAIL PROTECTED] ----- ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
