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Joey2034
06-24-2002, 10:46 AM
Why are the proteins generated randomly for testing? Wouldn't it go a lot faster and more efficiently if there were some sort of genetic algorithm in place? Like, say, each user has a sample space of 5000 structures, and when they want a new structure, just pick one of the 5000 and change one amino acid in it, or pick two and cross them...then calculate the pseudo-energy, and put the structure into the sample space, then delete the sample with the worst pseudo-energy. I've played around with genetic algorithm programs before, and they seem to do a pretty good job at evolving things with specific goals in mind. The random seed generator seems to me like shooting fish in a barrel, blindfolded, from a few miles away, with a broken trigger finger, and a nervous twitch.

Brian the Fist
06-24-2002, 11:12 AM
We are, in fact, working on a genetic algorithm-like technique right now. However, the goal of DFP, at least for present, is to see how well we can do by brute force sampling. The GA will be used by us in-house to optimize the best brute force structures for CASP, but will probably not be used on DF, at least for awhile. The GA is still very 'alpha' right now..

Joey2034
06-24-2002, 11:29 AM
Now that summer is upon us, I have a lot of free time. If there is any way, I'd be interested in participating in the GA stuff, whether it be alpha or beta testing, or programming, or whatever. Is that at all possible?