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andrewxc's picture
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Joined: 09/21/2011
Groups: Gargleblasters

I have a couple of requests for a future build of FoldIt.
I noticed this morning that my initial 756, when I selected Wiggle All, anchored one end of the protein and moved the rest of the protein to follow. This created a (tiny & unimportant) problem, since I had selected "Align to density" just before. It appears that this happens only when some secondary structures are frozen. Could we choose around which structure our protein is centered? I understand that I could band it, but I don't think that bands will stop the one end from not moving.
Also, rebuilds only allow the specific section (plus loop segments adjacent to selected secondary structures) to be moved. Could there be an option (check-box?) to free up everything distal to the center of the protein? In a similar to how you fold paper, the two ends will flap about freely. When I rebuild helices, I feel the (temporarily frozen) ends should flap about until the substructure is defined.
Rebuilds at ends have a similar (perhaps opposite) problem. The protein is rebuilt with one side anchored. One one side, the loose end is distal to the center and flaps about, as it should. On the other end, however, the end is anchored in space, and the "loose" end is tethered to the next substructure over, and cannot rebuild properly (especially true if you rebuild from the default DeNovo or CASP ROLL 'extended' structures). ALL rebuilds should propagate from proximal to distal (center to outside).

Joined: 04/15/2012
Groups: Beta Folders

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