Guy is posting on some great stuff he is doing with NE1 at his blog NanoGuy
The regulars here will be familiar with the insightful comments Guy has been kind enough to leave on some of my projects. I can't wait to see all the stuff he comes up with.
Anyone else doing anything with NE1?
Sunday, January 27, 2008
Saturday, January 26, 2008
welcome Lee Nelson
This is a draft tutorial put together by Lee Nelson showing how to construct ethylene in NE1. Lee has stated there are more to follow too. I believe we have the makings of a community here.
MMTF* (I hope)
*Much More To Follow
Thursday, January 24, 2008
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.
MTF
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.
MTF
Monday, January 21, 2008
Video of building a DAE-junction crossover
Please feel free to leave any feedback you have on how effective these videos would be at teaching you to use NE1, but keep in mind I am still learning the video editing software, and plan to add a narration at some point. I think I would prefer watching them to reading tutorials, and I know I prefer making them to writing tutorials.
Is that another sign of the times; print is dead and all?
Sunday, January 20, 2008
building the linakges for the super fullerene
Here I have hid everything at a junction except the 12 nitrogen atoms I'm using for a linkage. This is a must otherwise you quickly lose the ability to see what you are doing. Here is a first attempt at a linkage design that was inspired by "what's the quickest way to connect everything".
The yellow atoms are sulfur. Any feed back on this?
Saturday, January 19, 2008
back early, even more on the super fullerene
I had expected to be out of town until tomorrow, but ended up coming home early. It was a good little trip though; I learned a few things:
1. I prefer my own bed.
2. It doesn't matter; wine will always taste like vinegar to me.
3. Seeing a new baby kicks off some paternal instinct that gets me jazzed up to build my own stuff out of DNA, with NE1 acting as a mediator for now.
I am knees deep into the super fullerene, which I plan to pack with genetic material and rechristen a synthetic virus, good enough for now.
Here is the latest, all the 5ers in place. They have not been hydrogenated yet. That is why their ends are gray.
Now the tricky part.
MTF
Tuesday, January 15, 2008
more on the super fullerene
picking this up again...
First I had to turn some of the 6ers around so the nitrogen (blue) were facing out. First I was just really really focused on getting them positioned around the ball; I didn't care which way they faced. Next I had to try and build something similar with five fold symmetry (5er). I carved down a 6er to what I thought would be a good moiety and went from there. It wasn't the toughest I've built, but it still took a lot a spacial perception.
I will now work on positioning the rest of the 5ers. The nitrogen atoms will form the basis of the linkages. That will be tricky, but if I can build one that works, I should be able to just drop them in.
Still a metric crap load of twisting and adjusting...
MTF
Monday, January 14, 2008
Friday, January 11, 2008
welcome back...
A little preview before I get back to what we are affectionately calling the super fullerene and all the other things I left hanging over the holidays...
I missed you.
I missed you.
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