> That leads to: > > THE SECOND BIG QUESTION > ----------------------- > If we follow these rules, will we ever have a situation where we will > automatically create bonds when the end-user did not want one?
Oh yes!! Chime is/was quite happy to connect Al w/ Si in aluminosilicates if they came within some (unkowable, unmodifiable) distance. And for the benefit of nonchemists and organic chemists, the proper bond sequence is -Al-O-Si- , and of course -Si-O-Si- and -Al-O-Al in the oxides instead of -Al-Al- and -Si-Si- connected based purely on proximity. Now there are probably several ways of keeping such unpleasant things from happening...among them user-modifiable bonding distances that would be sufficiently restrictive to keep this from happening and/or prohibitions on certain unlikely/impossible bonding schemes, such as positively-charged to positively-charged atoms. I haven't checked what Jmol currently does with these cases, but will try to check it out this weekend and report back. Phil Barak Dept of Soil Sci Univ of Wisconsin-Madison ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
