At http://chemapps.stolaf.edu/jmol/docs/examples-11/new8.htm
item #9 describes "dynamic element definition". After you click the link to change one hydrogen to a boron, if you click "minimize" (in red below Jmol), the boron moves satisfyingly. However, after you click the link to change the born back to hydrogen, clicking "minimize" does not restore the hydrogen to its original position (nor the changed bond angle). Similarly, if, after loading caffeine.xyz, you first click the link that changes carbons to Cl and Fe, and H to B, and minimize, the ring expands satisfyingly to accomodate the larger atoms. However, if, after loading caffeine.xyz, you first click the link that changes C to Cl and Fe, then you minimize, and then you change them back to C, then minimize again, the ring does not shrink. It seems that the first time you minimize, it works, but the second, it does not. -Eric ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
