puzzle picture
[DEVPREV] Ligand Design test for bugs
Status: Closed

Summary

Name: [DEVPREV] Ligand Design test for bugs
Status: Closed
Created: 07/17/2017
Points: 0
Expired: 07/24/2017 - 23:00
Difficulty: Intermediate
Description: This is a test for ligand design. Try it out and report bugs!
Categories:

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Comments

bertro's picture
User offline. Last seen 2 hours 16 min ago. Offline
Joined: 05/02/2011
Groups: Beta Folders
Question:

Why the M tool lowers the score went run?

rmoretti's picture
User offline. Last seen 4 hours 7 min ago. Offline
Joined: 01/15/2010
Groups: None
Are you referring to the

Are you referring to the mutate tool? You shouldn't have been able to use the mutate tool in this puzzle. The protein segments in this puzzle should have a fixed identity, and the ligand in the middle of the protein should be adjustable with the Small-Mcl Design mode (hotkey 5) and popup, not the mutate tool.

Under what conditions were you able to get the M tool to run?

bertro's picture
User offline. Last seen 2 hours 16 min ago. Offline
Joined: 05/02/2011
Groups: Beta Folders
Crash using M tool a long time

log.txt only shows:

...
internal_coords_atom:
autodeterimine_chi:
FinalE finalize:
replacing residue
setting game pose
marking chemical change
core.conformation.Residue: DANGER: almost got stuck in infinite loop! Atom 15 is apparently a parent AND child of atom 13.
delta_score: 0
Playing sound: 4
ending minimization: 7364.47
starting minimization: 7364.47

UNHANDLED EXCEPTION
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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Microsoft, Adobe, RosettaCommons