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Recipe: m_s_ws_x10_wa
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Name: m_s_ws_x10_wa
ID: 103898
Created on: Sun, 08/30/2020 - 02:17
Updated on: Sun, 08/30/2020 - 10:25
Description:

after first design



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Joined: 09/24/2012
Groups: Go Science
I use it when hand designing on other clients in parallel

Does 10 times the following loop:

Mutate (1), restore best
Shake(1), restore best
Wiggle sidechains(1), restore best

===> I interrupt it when coming back to this client for further hand design.

After the 10 loops, it wiggles all(1) several times, then (25). You can easilly undo this last operation (because it could have broken your design).

Basic code:

recentbest.Save( )
for i = 1, 10 do
structure.MutateSidechainsAll(1)
recentbest.Restore ()
structure.ShakeSidechainsAll(1)
recentbest.Restore ()
structure.WiggleAll(1,false,true) -- ws
recentbest.Restore ()
end

structure.WiggleAll(25,false,true) -- ws
recentbest.Restore ()
recentbest.Save( )
structure.WiggleAll (1)
recentbest.Restore ()
structure.WiggleAll (1)
recentbest.Restore ()
structure.WiggleAll (1)
recentbest.Restore ()
structure.WiggleAll (25)
recentbest.Restore ()

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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