Recipe: Josh's Fuse

created by joshmiller

Profile

• Name: Josh's Fuse
• ID: 104100
• Shared with: Public
• Parent: Blue Fuse 2020
• Children:
  • Josh's Fuse endless
  • Fuse Josh's (COPY)
• Created on: November 06, 2020 at 17:47 PM UTC
• Updated on: November 06, 2020 at 17:47 PM UTC
• Description:

  Variant of Blue Fuse 2020 to include new sliders!

Code

--
--  Josh's Fuse - 6 Nov 2020 - see notes at end
--
print ( "Josh's Fuse" )
startScore = current.GetEnergyScore ()      -- Get the current energy score. 
print ( "starting score = " .. startScore ) -- print the starting score

recentbest.Save ()                          -- Save the current pose as the recent best pose.


behavior.SetPackingImportance(0.17)
seventeen = behavior.GetPackingImportance()
behavior.SetPackingImportance(0.18)
eighteen = behavior.GetPackingImportance()
modding = true
if (seventeen == eighteen) then
  modding = false
end

local ask = dialog.CreateDialog("Josh's Fuse")
ask.Clashing = dialog.AddCheckbox("Clashing", true)
ask.SidechainHBonds = dialog.AddCheckbox("Sidechain HBonds", true)
ask.BackboneHBonds = dialog.AddCheckbox("Backbone HBonds", true)
ask.Packing = dialog.AddCheckbox("Packing", true)
ask.Hiding = dialog.AddCheckbox("Hiding", true)
ask.Pairwise = dialog.AddCheckbox("Pairwise", true)
if (modding == false) then
ask.Warning = dialog.AddLabel("WARNING: Recipe Modding is currently OFF\nPlease turn it on before running this recipe.")
end
ask.OK = dialog.AddButton("OK", 1)
ask.Cancel = dialog.AddButton("Cancel", 0)

function resetBehavior()
	behavior.SetClashImportance ( 1.0 )
	behavior.SetSidechainHBondImportance ( 1.0 )
	behavior.SetBackboneHBondImportance ( 1.0 )
	behavior.SetPackingImportance ( 1.0 )
behavior.SetHidingImportance ( 1.0 )
	behavior.SetPairwiseImportance ( 1.0 ) 

end


resetBehavior()

if (dialog.Show(ask) > 0) then

	if (ask.Clashing.value) then
		behavior.SetClashImportance ( 0.05 )        -- Set the clashing importance.
	end
	if (ask.SidechainHBonds.value) then
		behavior.SetSidechainHBondImportance ( 3.0 )        -- Set the schbonds importance.
	end
	if (ask.BackboneHBonds.value) then
		behavior.SetBackboneHBondImportance ( 3.0 )        -- Set the bbhbonds importance.
	end
	if (ask.Packing.value) then
		behavior.SetPackingImportance ( 3.0 )        -- Set the packing importance.
	end
if (ask.Hiding.value) then
		behavior.SetHidingImportance ( 3.0 )        -- Set the hiding importance.
	end
	if (ask.Pairwise.value) then
		behavior.SetPairwiseImportance ( 3.0 )        -- Set the pairwise importance.
	end
	structure.ShakeSidechainsAll ( 1 )          -- Shake all sidechains. 
	resetBehavior()
	structure.WiggleAll ( 8 )                   -- Global wiggle all segments.
	print ( "after first shake/wiggle, score = " .. current.GetEnergyScore () ) 

	if (ask.Clashing.value) then
		behavior.SetClashImportance ( 0.07 )        -- Set the clashing importance.
	end
	if (ask.SidechainHBonds.value) then
		behavior.SetSidechainHBondImportance ( 2.0 )        -- Set the schbonds importance.
	end
	if (ask.BackboneHBonds.value) then
		behavior.SetBackboneHBondImportance ( 2.0 )        -- Set the bbhbonds importance.
	end
	if (ask.Packing.value) then
		behavior.SetPackingImportance ( 2.0 )        -- Set the packing importance.
	end
	if (ask.Hiding.value) then
		behavior.SetHidingImportance ( 2.0 )        -- Set the hiding importance.
	end
	if (ask.Pairwise.value) then
		behavior.SetPairwiseImportance ( 2.0 )        -- Set the pairwise importance.
	end
	structure.ShakeSidechainsAll ( 1 )          -- Shake all sidechains. 
	
	resetBehavior()
	
	structure.WiggleAll ( 8 )                   -- Global wiggle all segments.
	print ( "after second shake/wiggle, score = " .. current.GetEnergyScore () ) 

	recentbest.Restore ()                       -- Load the recent best pose.
	print ( "after restoring recent best, score = " .. current.GetEnergyScore () ) 

	if (ask.Clashing.value) then
		behavior.SetClashImportance ( 0.3 )        -- Set the clashing importance.
	end
	if (ask.SidechainHBonds.value) then
		behavior.SetSidechainHBondImportance ( 1.5 )        -- Set the schbonds importance.
	end
	if (ask.BackboneHBonds.value) then
		behavior.SetBackboneHBondImportance ( 1.5 )        -- Set the bbhbonds importance.
	end
	if (ask.Packing.value) then
		behavior.SetPackingImportance ( 1.5 )        -- Set the packing importance.
	end
if (ask.Hiding.value) then
		behavior.SetHidingImportance ( 1.5 )        -- Set the hiding importance.
	end
	if (ask.Pairwise.value) then
		behavior.SetPairwiseImportance ( 1.5 )        -- Set the pairwise importance.
	end
	structure.WiggleAll ( 1 )                   -- Global wiggle all segments.
	
	resetBehavior()
	
	if (ask.Clashing.value) then
		behavior.SetClashImportance ( 0.5 )        -- Set the clashing importance.
	end
	if (ask.SidechainHBonds.value) then
		behavior.SetSidechainHBondImportance ( 0.3 )        -- Set the schbonds importance.
	end
	if (ask.BackboneHBonds.value) then
		behavior.SetBackboneHBondImportance ( 0.3 )        -- Set the bbhbonds importance.
	end
	if (ask.Packing.value) then
		behavior.SetPackingImportance ( 0.3 )        -- Set the packing importance.
	end
if (ask.Hiding.value) then
		behavior.SetHidingImportance ( 0.3 )        -- Set the hiding importance.
	end
	if (ask.Pairwise.value) then
		behavior.SetPairwiseImportance ( 0.3 )        -- Set the pairwise importance.
	end
	structure.WiggleAll ( 3 )                   -- Global wiggle all segments.
	
	resetBehavior()
	
	print ( "after third wiggle, score = " .. current.GetEnergyScore () ) 

	recentbest.Restore ()            	-- Load the recent best pose.
	
	structure.WiggleAll ( 8 )                   -- Global wiggle all segments.
	print ( "after final wiggle, score = " .. current.GetEnergyScore () ) 

	recentbest.Restore ()            	-- Load the recent best pose.

	finalScore = current.GetEnergyScore ()      -- Get the current energy score.
	print ( "final score = " .. finalScore )    -- print the final score
	gain = finalScore - startScore              -- calculate the gain
	print ( "gain = " .. gain )                 -- print the gain
end
print ( "Josh's Fuse complete" )


--
--  original: Blue Fuse v1.1 by Vertex 3 January 2010 - https://fold.it/portal/recipe/2052
--
--  BlueFuse 2020a - LociOiling - 21 March 2020
--  + converted to Foldit Lua interface V1 to V2
--  + added printing scores and gain
--  + dropped "select_all", not needed with ShakeSidechainsAll and WiggleAll
--
--  Some potential improvements:
--
--  TODO: round the score to three decimals
--  TODO: repeat the process if there's a gain
--  TODO: try different values for clashing importance
--  TODO: try a different number of iterations for wiggle
--  TODO: turn off filters during shake and wiggle for better performance
--  TODO: add a dialog to control settings
--



--
--  original: Blue Fuse v1.1 by Vertex 3 January 2010 - https://fold.it/portal/recipe/2052
--
--  BlueFuse 2020a - LociOiling - 21 March 2020
--  + converted to Foldit Lua interface V1 to V2
--  + added printing scores and gain
--  + dropped "select_all", not needed with ShakeSidechainsAll and WiggleAll
--
--  Some potential imp

Comments

[ZeroLeak7]

have tried your Recipe! should be longer running with different settings, but it's ok! I play a littlebit with it! thank you josh!