Jiayi,

About Jmol autobonding:
http://chemapps.stolaf.edu/jmol/docs/#set_autobond

See also
set forceAutoBond
http://chemapps.stolaf.edu/jmol/docs/#k846

Bonds are generated or not based on distance and element identities (Jmol 
holds internally a table of element radii)


> How did Jmol know which atoms are bounded together when it display it?


> Is it possible for you to mention the class or the function name which deal 
> with that?
Sorry, I cannot help on this one.



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