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Recipe: Fast Relax v1.1
Created by mottiger 74 1534
Your rating: None Average: 4.3 (9 votes)


Name: Fast Relax v1.1
ID: 41808
Created on: Sun, 05/20/2012 - 10:10
Updated on: Sun, 05/20/2012 - 17:10

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Joined: 08/30/2011
Fast Relax v1.1

Hey there
Some people started using Fast Relax on a stuck protein to make it more flexible. I started with that method too, but never got points out of it.
So I started to pick a lower scoring solution out of the undo-list and ran scripts on it which often result in a better scoring protein than before.
I'm a big fan of script outputs so I added a scoring output.
It also saves now the proteins after each cycles and reloads them at the very end of the script. So you have the product of each cycle in your undo list and you can pick the one you wanna work further with.

It is not elegant or fancy scripting but I think it makes the use of this 'technique' a bit more comfortable.

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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, Boehringer Ingelheim, RosettaCommons