Recipe: Crush Sidechains To Point v0.1

created by Susume

Profile

• Name: Crush Sidechains To Point v0.1
• ID: 101809
• Shared with: Public
• Parent: Crush To Point
• Children: None
• Created on: January 22, 2016 at 04:03 AM UTC
• Updated on: January 22, 2016 at 04:03 AM UTC
• Description:

  As requested, crushes sidechains (the first joint in each sidechain) to a single point. Disable Cut Bands before running.

Code

-- Before running script, in Behavior tab, uncheck "Enable Cut Bands"

-- As requested, this script will attempt to crush the sidechains (first joint in each) to a single point:
-- Insert cut points between all segments
-- Band all sidechain beta carbons to a single point
-- Set CI to 0 and wiggle


EndSeg = structure.GetCount()

BETA_CARBON = 5
TERMINAL_BETA = 6
CENTER_CARBON = 2 --this is the default atom for bands to attach to
GLYCINE = "g"

function GetBeta(seg)
    if structure.GetAminoAcid(seg)==GLYCINE then
        return CENTER_CARBON
    elseif seg==EndSeg then
        return TERMINAL_BETA
    else
        return BETA_CARBON
    end
end

for i = 1, EndSeg-1 do
    structure.InsertCut(i)
end

band.DeleteAll()
band.AddBetweenSegments(1,EndSeg,GetBeta(1),GetBeta(EndSeg))

for i = 2, EndSeg-1 do
    band.AddToBandEndpoint(i,1,GetBeta(i))
end

for b = 1, band.GetCount() do
    band.SetGoalLength(b,0)
    band.SetStrength(b,10)
end

behavior.SetClashImportance(0)

structure.WiggleAll(25)