Wiggle preferring blue cutpoints over yellow on 737
|Opened on:||Saturday, June 29, 2013 - 00:56|
|Last modified:||Tuesday, July 2, 2013 - 00:12|
Wiggle is no longer turning many blue cutpoints to yellow on 737. In some cases it pulls them from blue to yellow and back and forth, then stops at blue. In some cases it will take one that is already yellow and turn it blue. See save "blue cutpoints", shared with scientists. I have manually moved the helix at residues 1-8 so the cutpoint at 8-9 is yellow, but wiggle puts it back to blue and I can't close it without manually hunting for that yellow spot again. Wiggle is no longer optimizing the protein; it is de-optimizing it.
I realize a new angle requirement has been added to the cutpoints. The problem is what to do when wiggle can't find an acceptable angle (or prefers an unacceptable one). In some cases it is possible to find a yellow spot manually, but in other cases it is prohibitively difficult. There are too many degrees of freedom. I rely on wiggle to find a viable position if I get the pieces reasonably close. As things stand I am unable to play the puzzle (except by starting over without cutpoints) because I can't close all the cuts I made.