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Recipe: tlaloc Cataclysm 4.00
Created by Tlaloc 84 669
4.541665
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Name: tlaloc Cataclysm 4.00
ID: 3642
Created on: Sun, 06/27/2010 - 22:35
Updated on: Fri, 01/06/2012 - 19:02
Description:

Creates random bands, then compresses and releases until no points are found.



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Tlaloc's picture
User offline. Last seen 1 week 6 days ago. Offline
Joined: 08/04/2008
Groups: Mojo Risin'
Some more details.

It runs four times, each time creating random bands between segments. The number of bands will be 1/4th the number of segments in the protein. It contracts and releases using the same algorithm as tlaloc contract. If you let it run to completion, it will leave you in at least as good a state as you started and frequently better. If you stop early, hit 'Restore Rcnt Best' to get to the best score since it started.

The random number generator seeds from the low order digits of the current score. That means that if you perform a restore, and run the script again, it will produce exactly the same bands with the same result. To get a different seed, press the Wiggle Sidechains button for a few seconds. Even a slightly different score will produce an entirely different sequence of bands. The score in the UI doesn't need to change, as your real score has many more digits of precision.

Joined: 06/17/2010
Maybe

add a score-conditioned wiggles after disabling bands? Sometimes i see if there is more than one wiggle resoult may be better.

Joined: 09/18/2009
Groups: SETI.Germany
More...

How about creating a "random option" into your regular contract script (V2.23 now), so you wouldn't have to update the original AND random algorithm if you do some changes.

Joined: 09/18/2009
Groups: SETI.Germany
Change

@rav3n_pl:
I could do this change for you, if Tlaloc allows me doing this.

Tlaloc's picture
User offline. Last seen 1 week 6 days ago. Offline
Joined: 08/04/2008
Groups: Mojo Risin'
A little more on the algorithm.

It shakes first on one pass, and wiggles first on the next pass, where a pass is a contraction. This finds most of the points without having to spend extra time trying it both ways.

You are always free to modify my scripts, but when you do, please remove the "tlaloc" from the front of the script name. That's how I identify scripts that I officially support and release. Comments in the script are a good way to keep attributions for the origination of the script.

Most of my scripts have parameters that will re-optimize the script in various ways. Usually I try to balance the script's execution time. I'd rather get 95% of the points in 10 minutes, rather than 100% of the points in 5 hours. If you change the parameters, you will get different performance characteristics.

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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