alcor29 Lv 1
How about making the "penalty" for bad loops MUCH bigger so scripts don't mess up the good loops we started with?
How about making the "penalty" for bad loops MUCH bigger so scripts don't mess up the good loops we started with?
This is certainly an interesting idea! I would expect, though, that the amount of the penalty was not chosen at random.
Would it help to have a setting like "ideal loop importance", that you could set to a value ("much") greater than 1? (Without increasing the +500 points in the ideal situation, of course ;-)
Having said that, I don't think it is the script that messes up a good loop. The way I look at it (disclaimer: without having a background in biochemistry!), it is hydrogen bonds and hydrophobic interaction that act on the helices or sheets adjacent to the loop, and sometimes pull them in the wrong direction. A higher penalty might stop a recipe in its tracks, but it will not change the tendency of that section of the protein to move in the "wrong" direction.
I think it would also help to have the Ideal Loops filter penalty
depend on the # of segments that are in non-ideal loops. This way
one non-ideal loop containing 14 segments would have a larger
penalty than one non-ideal loop containing 10 segments or two
non-ideal loops each containing 3 segments. Having the penalty
depend on the # of segments that are in non-ideal loops would
help recipes fix non-ideal loops in a more gradual and incremental
manner.
Please see the comments below for more details:
https://fold.it/portal/node/2005262#comment-41271
https://fold.it/portal/node/2005262#comment-41273