Wiggle problem on C2N ligand design puzzle

Case number:954892-2001504
Topic:Developer Preview
Opened by:grogar7
Opened on:Tuesday, November 24, 2015 - 06:26
Last modified:Thursday, November 26, 2015 - 17:00

Whenever CI is set below 1.000 (even at .999), wiggle causes protein to explode. Seems wrong.

(Tue, 11/24/2015 - 06:26  |  3 comments)

Susume's picture
User offline. Last seen 6 days 9 hours ago. Offline
Joined: 10/02/2011

Wiggle All seems to be completely broken on this puzzle. At CI 1.0 it either does nothing (even if the protein has just been perturbed by tugging a helix out of line) or it explodes the protein (for example after tugging helix and then shaking at low CI). At any lower CI it explodes the protein. This will make most of our scripts useless.

Joined: 11/28/2011

disable cut bands solve the problem.

dbuske's picture
User offline. Last seen 2 years 27 weeks ago. Offline
Joined: 09/22/2011
Groups: Beta Folders

Disabling cutbands does work. Alot better now


Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
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