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Recipe: Walkin Rebuild 2.0.5
Created by Rav3n_pl 76 1327
4.75
Your rating: None Average: 4.8 (4 votes)
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Name: Walkin Rebuild 2.0.5
ID: 6086
Created on: Fri, 07/23/2010 - 15:30
Updated on: Mon, 07/26/2010 - 11:43
Description:

Rebuilds given area to get higher score. See end of script for options. Default it walks entire proteine! Now i t using partial scoring to determine rebuild. BUGFIX!



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Joined: 06/17/2010
usage:

default: WalkingRebuild(1,get_segment_count(),5,0.5,3,2)

WalkingRebuild(sS,eS,sLn,minGain,tries,step)
sS-start segment to rebuild
eS-end segment do rebuild
sLn-how many segments at once (min 3)
minGain-min score to accept rebouild (may be negative)
tries-loops per rebuild - more tries to find best solution
step-step walk to next segment

ie:
ss=10, es=20, sln=5 step=3
rebuilding 5 sgmnts from:
10
13
16
19

Warnig! By default it walks entire proteine! It may take looong time ;]

Joined: 06/17/2010
changelog:

Now using partial score check for rebuilded area (ie ignoring clashing part).
If is local gain trying to stabilize and check blobal score.
If is global gain looking for next target.

Options and usage at end of script.
If U have FAST pc use more tries (10 or even more) to find better rebuild.

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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, Amazon, Microsoft, Adobe, RosettaCommons