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Recipe: Contact Enforcer 2.0 -- Brow42
Created by brow42 78 922
4.2
Your rating: None Average: 4.2 (10 votes)

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Name: Contact Enforcer 2.0 -- Brow42
ID: 49209
Created on: Mon, 05/26/2014 - 11:40
Updated on: Fri, 06/06/2014 - 02:32
Description:

Enforces constraints in Contact Map puzzles. For playing whack-a-mole on those contacts. Updated for 2014.



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brow42's picture
User offline. Last seen 23 hours 19 min ago. Offline
Joined: 09/19/2011
Groups: None
Updated for 2014

Contact Enforcer has been updated for the new-style Contact Map puzzles. If you were using the old recipe, you should replace it with this one immediately. The old recipe will not work at all on the new-style puzzles.

For a description and history of the recipe, please visit the page of the old recipe, linked on the right as PARENT.

Basic gist:

Creates 3 types of bands:
Pushers push segments that are in contact but should not be,
Pullers pull segments that should be in contact but are not,
Holders weakly hold distance, and resize each round.

Pushers and Pullers become Holders when they are no longer needed. Bands are never deleted, but accumulate as holders. Holding can be completed disabled. Holders may become Pusher/Pullers again when needed.

By default, the recipe applies bands, then wiggles, then applies new bands and changes existing ones to satisfy the new contacts. Instead, you can take the results of that wiggle to apply bands to a previous best solution, either best score or best multiplier.

The advanced options page lets you change the threshold for contacts, so that fewer bands are made and only strong contacts are pulled together. By default, however, it pulls all predicted contacts together.

Changes from 1.3 to 2.0:
* Version 2.0 May 26 2014 Brow42

* Reversed sense of heatmap (0 = no contact)
* Changed range on contact sliders to actual max and min (excluding 0)
* Default contact cutoff includes ~ all predicted contacts
* Hid exploration multiplier features
* Bands do not spam the undo stack
* Best Score save was being overwritten by last wiggle. No more.

Joined: 09/24/2012
Groups: Go Science
bug

error line 446

Joined: 09/24/2012
Groups: Go Science
error line 446 when used on non contact puzzle

Suggestion: if number of bands of highest heat is too big, propose to take bands randomly?

brow42's picture
User offline. Last seen 23 hours 19 min ago. Offline
Joined: 09/19/2011
Groups: None
Update 2.1

If the contact map has too many contacts (like puzzle 907), you can limit banding to just the strongest contacts with the threshold sliders.

If you want to keep the weaker contacts, you can use the new Puller Fraction slider, to randomly pick which contacts to band. Thanks, Bruno.

* Version 2.1 June 5, 2014 Brwo42

* Exits with a message if the puzzle is not a contact map puzzle.
* New slider to only band a fraction of pullers if there are far too many contacts.

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

I'll test it asap on the (difficult) puzzle 907

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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