Profile


Name
rb_expo
ID
31274
Shared with
Public
Parent
None
Children
Created on
August 21, 2011 at 20:34 PM UTC
Updated on
August 21, 2011 at 20:34 PM UTC
Description

trying to rebuilding exposed hydro

Best for


Code


function rb_succ() structure.WiggleAll(5,false,true) structure.WiggleAll(10,true,true) band.DeleteAll() structure.WiggleAll(5) behavior.SetClashImportance(0.07) structure.ShakeSidechainsAll(5) behavior.SetClashImportance(1) structure.WiggleAll(20) structure.ShakeSidechainsAll(2) end --ligne12 function dist(a,b) local j=0 for i=1,structure.GetCount() do if structure.GetDistance(a,i)<10 then j=j+1 else if b==true then if structure.GetDistance(a,i)<20 then band.AddBetweenSegments(a,i) end end end end return j end --ligne 28 function rb_expo () local j =1 local k=1 local l=1 local m=0 local n=0 local p=0 --ligne 38 for i=1, structure.GetCount() do structure.SetSecondaryStructure(i,"l") end for i=1, structure.GetCount() do hd_sc=0 selection.DeselectAll() if structure.IsHydrophobic (i)==true then n=dist(i,false) save.Quicksave(100) l= i-j m=i+j print(n) if current.GetSegmentEnergySubscore(i, "hiding")<-15 then if n<18 then repeat p=current.GetScore() if l<1 then l=1 end if m>structure.GetCount() then m=Structure.GetCount() end selection.SelectRange(l,m) structure.RebuildSelected(1) if p~=current.GetScore() then --ligne 65 dist(i,true) rb_succ() if n>dist(i,false) then l=i-1 m=i+1 else break end end p=dist(i) if p<n then save. Quickload(100) else if p>n then n=dist(i) save.Quicksave(100) end end n=dist(i) print(n) if l-m>7 then break end until n>18 k=0 rb_succ() end end l=1 m=1 selection.DeselectAll() end end end rb_expo()

Comments