Wiggle lock on 499 (again)

Started by Rav3n_pl

Rav3n_pl Lv 1

Wiggle is "locked" on middle of puzzle.
If we rebuild middle segments thingy is dancing around them when wiggled.

Rav3n_pl Lv 1

Bump. It can be observed on every puzzle.
Yes, we can try to accept is as a feature, but I think if we move this "null point" to another location (ie best scoring segment) wiggle can work much better, especially when we are rebuilding this "locked" part.
If it is possible please include it to dev preview for testing when we will have some small one like R003 (up to 100 residues anyway).

jflat06 Staff Lv 1

The location of where this "lock" occurs only matters in situations where the absolute position of the protein in space matters.

That is to say, symmetry, electron density, puzzles with multiple chains (and possibly some others).

In those puzzles, no segment should be "locked in space", since the entire protein is allowed to move during wiggle.

For all other puzzles, the position of where this segment is within the protein has no effect on the minimization; it is purely chosen based on cosmetic considerations. The minimizer is simply minimizing the torsion angles of the residues, and the position of the root residue has no effect on this.

Rav3n_pl Lv 1

Well if it is only cosmetic and can be set by puzzle configuration can you please post 2 identical small (around 50 residues) puzzles for dev? One "normal" hooked in the middle and second hooked somewhere else?
Also allow (if it will be possible) to load solutions between that 2 puzzles or make "broken in the middle" start configuration.
Just to confirm that it really has nothing to score.
Also in some cases (rebuild middle) locking it somewhere else will prevent twisting and dancing when wiggle.