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Recipe: Acid Tweeker v2.00
Created by BitSpawn 78 1433
2
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Name: Acid Tweeker v2.00
ID: 43860
Created on: Sat, 08/11/2012 - 09:35
Updated on: Sat, 08/11/2012 - 11:59
Description:

Search for the best rottamers



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Joined: 08/09/2010
Lua V2, thanks Timo

V2.00: Timo van der Laan Makefile to Lua v2

From v1.78: faster, more precise, more options

- Faster:
1.- Discard bad scored situations, never more endless wiggle with bad score..
2.- Mingain during wiggle proportional to the difference with best score. Never more eternal wiggling with bad score.
For example: Best score=10000, if you are working with score=9000, the wiggle needs to get up >50 pts to repeat.
For example: Best score=10000, if you are working with score=9998 or 10005, the wiggle needs to get up >0.001 pts to repeat.
3.- Discard very bad scored during manipulate.

- More precise:
1.- All segments tested in phase 1 except A and G.
2.- Now backbone doesn't break wiggling with bad scores after shaking with ws (Raven).
3.- Option with bands to fix backbone with very bad scored segment only when it is necessary.
4.- Option fast=false: iter=2 with CI=1.00. Only long wiggle when CI==1.00
6.- All sphered with radius=10
7.- New rottamers: tested rottamers near high scores in Manipulate phase

- Option rebuild: works fine for ending puzzle (better than Gary in my opinion).

Joined: 09/24/2012
Groups: Go Science
Debugged here:

There was a bug in rotamers. Debugged version V2.0 here:
fold.it/portal/recipe/45314

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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