Serious issues rebuilding helices
|Opened on:||Thursday, October 25, 2012 - 21:59|
|Last modified:||Wednesday, October 31, 2012 - 04:14|
In working on the GUI script only puzzle in devprev, I've encountered a problem that I'd seen before recently.
Hand rebuilding of helices (at least) has serious issues. No matter the CI used (I've used both .05 & 1.0) and whether or not BB constraints are checked, helices can be either extremely slow in finding a reasonable pose, or will not do it at all - in many, but not all cases.
I've noticed this (and have been hearings grumblings about in both team and global) since the CASP roll puzzles started. It may date to the IE filter, or be a by-product of the BB constraints exacerbated by the IE filter.
I went back to the Platypus puzzle, where I recall was the last time rebuild worked normally to form a helix. I reset the puzzle, and tested with checked/unchecked, .05CI and 1.0 CI. I used the helix on the free end - and added some of the loop to it. Within a normal rebuild timeframe, it worked in all cases (see pix below).
I then moved on to 646, used what loaded, and tried to make a helix out of one end. Worked well.
On to 643. From the denovo chain, made a helix on an end no problem. Then on that puzzle, did an alignment, clicked on a yellow cutpoint, and tried rebuild. Fail (look at the distortion in the center of the helix in the second pix of that puzzle).
Came back to the GUI Scripting only puzzle, and tried all CI with BB checked and unchecked. The helix at segs 63 - 76 simply will not rebuild properly. I've tried doing it under all circumstances - the entire helix, just that one nasty end - no matter what, it will not form properly at any pose.
In the pix below I have the Undo graph open - you can see how fast you can get a helix shaped where it works, and how long you can let it go on when it is not working with bad results.
I am hoping that others who have encountered this problem will post, so that it can be nailed down.
One other note to help diagnose: apparently, scripts are not encountering this problem. I know that seems bizarre, but it is what it is.
GUI No Script Puzzle: