Shared with the scientists on 663 a pose where rebuild did not find an alternative.
I havent seen that happening on puzzles before when running in loop mode.
Also I noticed that rebuild is taking a very long time to find anything when I continued with DRW231 with timing.
I have also seen that rebuild is slow to find poses, but on the other hand the poses it finds score better. Unlike main/devprev, newchapter never stopped on poses with negative score (at least among the very small number of poses found in the first minute).
Average number of poses found by rebuild in 1 minute on ED puzzle: devprev 15.8, newchapter 3.2
Average SCORE of best and worst poses: devprev 7633 to -45832, newchapter 12391 to 11485
Average CHANGE in score for best and worst poses: devprev -2455 to -55920, newchapter -297 to -1203
I have not experimented yet to see how often these better scoring poses result in higher score than before the rebuild.
Bump this one. Rebuild is finding too little poses almost none. CI makes no difference.
Rebuild is definitely behaving strangely. See the attached screenshot, where despite the protein scoring highly, residues 11 and 12 are stretched in a suspicious way after a rebuild/wiggle.
Something I found. Rebuild seems to get faster after you leave it on for a while.
I ran enhanced DRW on 5 segment areas of spider toxin (after reset and blue fuse) in devprev and newchapter. In devprev, 180 out of 180 calls to RebuildSelected(1) were successful (produced a new pose). In newchapter, which I ran longer, 189 calls to RebuildSelected succeeded, and 1383 failed to produce a new pose. These were a mix of RebuildSelected(1), RebuildSelected(2) and RebuildSelected(3), since DRW tries all of those if it is not getting a pose back. This is an awfully high failure rate. Is there some threshold that can be adjusted to let more poses through?
Question about this: does the new rebuild restricts what it delivers on idealized positions? If so please change that as those problems can be wiggled/fuzed away and more positions of the protein can be valuable even if the initial pose has idealize problems
We have all noticed that rebuild is not returning the same number of poses; was this expected??
I am concerned that lower scoring rebuilds which would be more daring and might be preferable to a human folder are being excluded. In the 38 rebuilds I could obtain on various areas of the ED puzzle, the mean loss of points due to the rebuild was only 38 points. The mean subsequent gain from shake was only 1.13 points, meaning rebuild candidates that initially scored low due to clashing but could be significantly improved by shake were entirely excluded by the rebuild function. Some of our best rebuilds normally come from this class. Excluding rebuilds based on overall score, even if the threshold is changed to let more of them through, is a mistake. Prioritizing based on backbone score alone, or some combination of subscores that excludes sidechain and clashing, might be sensible, but only testing could tell for sure. During hand-building, I think it's important to give the human eye the first right of refusal. If you can tell us your rationale in excluding possible rebuilds, the players may have some useful input on how to achieve that goal without cramping our style.
I fully agree with Susume. FoldIt should not make the assumption, as seems to be the case in newchapter, that high-scoring rebuilds are the only ones of interest. Eyeballing rebuilds and selecting promising-looking ones, irrespective of their score, is an effective technique and one which can no longer be used as things currently stand. Also, it severely limits the ability of scripts to work with rebuilds based on criteria other than best score after rebuild.