Recipe: Band Sheets v1.0

created by Serca

Profile

• Name: Band Sheets v1.0
• ID: 103555
• Shared with: Public
• Parent: None
• Children: None
• Created on: May 30, 2020 at 09:17 AM UTC
• Updated on: May 30, 2020 at 09:17 AM UTC
• Description:

  Bands sheets that are close enough.

Code

--[[
Band Sheets v1.0

Make bands between sheets that are close enough
]]--

proteinLength=structure.GetCount ()
bandlistSeg1={}
bandlistSeg2={}
reportLevel=true
bandStrength=0.9
bandLength=2.1
detectRadius=7
ignoreFrozen=false

bandCount = 0
--band.GetCount ()


function OptionsDialog()
  ask=dialog.CreateDialog("Band Sheets Options")
  
  ask.bandStrength = dialog.AddSlider("Set Strength",bandStrength,0,2,1)
  ask.bandLength = dialog.AddSlider("Set Length",bandLength,0,4,1)
  
  ask.reportLevel=dialog.AddCheckbox("Report", reportLevel)
  ask.ignoreFrozen=dialog.AddCheckbox("Ignore frozen segments", ignoreFrozen)
  ask.detectRadius = dialog.AddSlider("Search Distance",detectRadius,0,10,1)
  
  
  ask.OK = dialog.AddButton("OK",1) 
  ask.Cancel = dialog.AddButton("Cancel",0)
 
  returnVal=dialog.Show(ask)

  bandStrength = ask.bandStrength.value
  bandLength=ask.bandLength.value
  reportLevel=ask.reportLevel.value
  ignoreFrozen=ask.ignoreFrozen.value
  detectRadius=ask.detectRadius.value

  return returnVal
end

function roundX(x)--cut all afer 3-rd place
  return x-x%0.1
end

function CheckBandExists(seg1, seg2)
  for k=1, #bandlistSeg1 do
    if (bandlistSeg1[k]==seg1) and (bandlistSeg2[k]==seg2) then return true end
    if (bandlistSeg1[k]==seg2) and (bandlistSeg2[k]==seg1) then return true end
  end
  return false
end


if (OptionsDialog()==0) then return end

undo.SetUndo(false)

for i=2, proteinLength-1 do
  for j=2, proteinLength-1 do
    if (j>i) then 
      if ((structure.GetSecondaryStructure(i)=="E") and (structure.GetSecondaryStructure(j)=="E")) then
        makeBand=true
        currentDistance=structure.GetDistance(i,j)
        if (currentDistance < detectRadius) then
          if (currentDistance>structure.GetDistance(i+1,j)) and ((structure.GetSecondaryStructure(i+1)=="E")) then makeBand=false end
          if (currentDistance>structure.GetDistance(i-1,j)) and ((structure.GetSecondaryStructure(i-1)=="E")) then makeBand=false end
          if (currentDistance>structure.GetDistance(i,j+1)) and ((structure.GetSecondaryStructure(j+1)=="E")) then makeBand=false end
          if (currentDistance>structure.GetDistance(i,j-1)) and ((structure.GetSecondaryStructure(j-1)=="E")) then makeBand=false end
          if CheckBandExists(i, j) then makeBand=false end
          if (ignoreFrozen) then
            if (freeze.IsFrozen(i)) or (freeze.IsFrozen(j)) then makeBand=false end
          end
          
          if makeBand==true then 
            bandCount=bandCount+1
            bandID=band.AddBetweenSegments(i, j)
            bandlistSeg1[bandCount]=i
            bandlistSeg2[bandCount]=j
            band.SetStrength(bandID, bandStrength)
            band.SetGoalLength(bandID, bandLength)
            if reportLevel then print ("Added band for segments "..i.."-"..j,"distance "..roundX(currentDistance)) end
          end
        end
      end
    end
  end
end

if reportLevel then print ("Total "..bandCount.." bands added. Length="..bandLength..", strength="..bandStrength) end
undo.SetUndo(true)

Comments

[Bruno Kestemont]

There was a recipe "polar binding", but it was not perfect. I'll try this one next time I need it (for design or de nove puzzles)