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Recipe: HBond Buster
Created by Enzyme 62 3
4.419355
Your rating: None Average: 4.4 (31 votes)

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Name: HBond Buster
ID: 101005
Created on: Sun, 05/17/2015 - 01:59
Updated on: Sun, 05/17/2015 - 01:59
Description:

cycles through all rotamer positions of selected segments



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Enzyme's picture
User offline. Last seen 48 years 17 weeks ago. Offline
Joined: 07/10/2008
Groups: None
Desription

A long running script which should return very similar results to the series of scripts I have been running for this puzzle.

selecting segments before running should perform the function on only the selected segments and will greatly reduce runtime.

Near the end of the script are 2 sections. The second section enables the "doWiggle" attribute. This is an extremely long running script which can take several days to finish if it is run on the entire puzzle. It will appear as "doWiggle=true" under "startScore=" in the output.

JeNNeR's picture
User offline. Last seen 2 weeks 6 days ago. Offline
Joined: 08/12/2010
Groups: foldeRNA
Some suggestions about...

You use inside severe wrapped cycle the function CanMutate.
WHY? If they can, it never changed thru the puzzle.
Better of way is to do the following:
Take all (or selected) segments, run ONE TIME this function, and forget segments with returned value = .F.
Then check, do you have a segments for work with, and (if you have) work with it.
??? - profit. (And NO CALL INSIDE DEEP CYCLE!!!)

Piiz %)

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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