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Recipe: Acid Tweeker V2.5.2 Filter
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Name: Acid Tweeker V2.5.2 Filter
ID: 49343
Created on: Mon, 06/09/2014 - 12:55
Updated on: Mon, 02/23/2015 - 19:26
Description:

bug fixed on sidechain manipulate and on wiggle selected. Filters management. Adding most options of original AT 1.78 by Steven Pletsch. Filters adapted.



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Joined: 09/24/2012
Groups: Go Science
Best for + Options

AT is perfect for end and very end, actually for the ultimate day. I won puzzles with this, gaining the 1 point that makes the difference. I also simply evolved intermediate solutions with this, just to be named in the evolvers list. But after AT infinite run, the protein is perfectly stiffed ! So don't run overnight in mid game ! and if you share with your group after AT infinite run, say it to your team members so that they won't loose time to try evolve this gift.

Default options are the best options for this very end.

AT scans each segment and optimizes side chain and rotamer positions for the current primary structure. Therefore, it's not interesting for begin or middle game (even if you'll always get points). Moreover, AT is very good for best scoring segments; it does not help for worst scoring segments (you'll verify this in the log). That's why it's good for the end, when worst segment strategies finished to fail.

However, you can change options if you want:
-Fast mode gains less but is quick. Good for middle game, when you just want to move the protein a little bit. In further loops, this fast mode disappears.
-Fix geometry with bands when score breaks down: it's added in latest loops in order to change context. It could be also useful on beginning games, but I did not test this.
-Brute force in phase 3: this is typically only good for best scoring segments. Do not use this in mid game, you'll loose precious time. After few loops in infinite run, this is activated if not checked on start.
-Rebuild before search rotts, for very end only: roots = rotamers (in phase 3). This option in order to disturb a little bit and find ultimate micro points. Also activate in further loops.
-From seg … To seg: Default is all protein from 1 to end = 1 loop. Then second loop adds an option, reduces the min pts/seg by 10 pts, and start again from 1 to end. You can select one preferred zone here in order to save time (do select the best green zone).
Skip segments scoring less than: min pts/seg: This NEW option really gains a huge time! 10 is a very good choice at end puzzle (on each loop, it will be reduced by then, thus 0 on second loop, -10 next loop etc until infinite). I use 30 to save time at very very end, when my score is high on the board. If you don't trust me, try to start with -100 and look in the log: you'll see that AT does not help you to fix ultimate bad segments.

Thanks to Steven Pletsch who originated Acid Tweaker and most options I implemented here.

New to 2.4.5: bug fixed for CASP symmetric puzzles

Joined: 09/24/2012
Groups: Go Science
v2.5

Generic filter identification and management (will disable filters always but when scoring)

Joined: 09/24/2012
Groups: Go Science
v2.5.1

Debugged for ligand puzzles

3 filter options (2 in dialog):

1-disable filter during wiggle, then return to starting filter setting
1-if recipe starts with filter enabled, scores and everything else is done including filters
2-if recipe starts with filter disabled, filters will stay disabled all the time (scores are given without filters)
3-always disable filters, always enable them for scoring

Joined: 04/26/2014
Groups: Gargleblasters
BK, 2.5.1. giving errors when

BK, 2.5.1. giving errors when started, assuming it might be doing the same for others.

Joined: 09/24/2012
Groups: Go Science
thanks !

I'll debug it immediately

Joined: 09/24/2012
Groups: Go Science
v2.5.2

Debugged, sorry for the inconvenience and thanks again for reporting.
Now it's quite powerful on all types puzzles that I know. End game only !

Joined: 04/26/2014
Groups: Gargleblasters
Different error now, first

Different error now, first error nooticed was around line 300 with a call I no longer remmember. Present error is with line 29 attempt to call field GetExplorationMultiplier

Joined: 04/26/2014
Groups: Gargleblasters
Might be new DevPrev issue

Noticing errors in most every recipe using calls similar to GetExplorationMultipler. And the only difference I have made recently was the most recent DP update.

Joined: 04/26/2014
Groups: Gargleblasters
Post new DevPrev, recipe '

Post new DevPrev, recipe ' seems ' t be working just fine. Thanks BK

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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