Wednesday, January 23, 2008

adding the linkages, not pretty, but I have a system

My dreams of dropping in the linkages on the super fullerene like an easy game of Tetris is coming up short. However it is working, and only ugly for a minute. I am pretty much just dropping them in and bonding accordingly. Then I have NE1 adjust the atoms to a energy minimum position, and eventually they get orientated the right way.

Now I am reaping the fruits of not organizing my model tree better; meaning that I have to randomly unhide the various parts until I find a grouping to link up. Also in the previous QuteMol pictures it looks like the ends that make up the inner shell are a little smashed. This doesn't come through as bad in NE1, nothing a day of energy minimization won't fix; that's what I'm counting on anyway, but either way, I'm in this one to win.


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