Recipe: Rav3n_pl 537 clean check

created by Rav3n_pl

Profile

• Name: Rav3n_pl 537 clean check
• ID: 40457
• Shared with: Public
• Parent: None
• Children: None
• Created on: April 09, 2012 at 03:12 AM UTC
• Updated on: April 09, 2012 at 03:12 AM UTC
• Description:

  Script is checking that locked residues in 537 are mutated or not.

Code

--[[

537 Clean check  by Rav3n_pl
Script is checking that locked residues are mutated or not.

]]--

p=print
segCnt=structure.GetCount()
while structure.GetSecondaryStructure(segCnt)=="M" do segCnt=segCnt-1 end
function prt(tab)
a=""
l=0
for i=1,#tab do
    a=a..tab[i].." "
    l=l+1
    if l>10 then p(a) a="" l=0 end
end
p(a)
end

p("Finding Mutable Segments - IsMutable")
local mutable={}
for i=1,segCnt do
    if structure.IsMutable(i) then
        mutable[#mutable + 1] = i
    end
end
p(#mutable.." mutables found")
--prt(mutable)

function FindMutable() -- fsl.FindMutableSegments ()
  p("Finding Mutable Segments -- old way")
  save.Quicksave(10)
  local mutable={}
  local isG={}
  local i
  selection.SelectAll()
  structure.SetAminoAcidSelected('g')                  -- all mutable segments are set to 'g'
  for i=1,segCnt do
    if structure.GetAminoAcid(i) == 'g' then        -- find the 'g' segments
      isG[#isG + 1] = i
    end
  end
  structure.SetAminoAcidSelected('q')                  -- all mutable segments are set to 'q'
  for j=1,#isG do
    i=isG[j]
    if structure.GetAminoAcid(i) == 'q' then        -- this segment is mutable
      mutable[#mutable + 1] = i
    end
  end
  save.Quickload(10)
  p(#mutable.." true mutables found")
  return mutable
end
real=FindMutable()

locked={}
for i=1,#mutable do
    lock=true
    s1=mutable[i]
    for j=1,#real do
        if s1==real[j] then 
            lock=false 
            break
        end
    end
    if lock==true then
        locked[#locked+1]=s1
    end
end
p(#locked.." LOCKED mutable found")

--[[

a="clean={"
for i=1,#locked do
    a=a.."'"..structure.GetAminoAcid(locked[i]).."',"
end
a=a.."}"
p(a)
]]--

clean={'a','h','r','v','m','a','t','e','h','i','p','r','l','v','m','q','a','i','r','v','r','t','l','i','k','a','g','l','p','g','a','g','i','d','e','d','s','v','i','g','v','q','n','l','s','f','a','k','a','d','a','a','a','r','i','p','h','s','a','q','d','p','d','a','c','e','l','g','r','l','q','g','q','e','r','y','a','s','i','a','a','k','s','s','s','e','h','a','l','p','f','h','a','s','g','t','y','w','l','s','e','c','h','g','y','l','s','m','g','v','n','e','v','a',}

good=true
m=0
for i=1,#locked do
    if structure.GetAminoAcid(locked[i])~=clean[i] then 
        good=false 
        m=m+1
    end
end

if good==true then 
    p("OK! Looks like this solution is clean!")
else
    p("SORRY! This solution is broken!")
    p(m.." places are changed!")
end

Comments

[Rav3n_pl]

to check that your 537 solution is good or not.

[Schleicher]

Reproducable crash:

1. Load 537
2. run this script
3. read result (my solution is ok)
4. try to load 536
5. crash to desktop

Log:
ERROR: seqpos <= size()
ERROR:: Exit from: D:\scooper\foldit\release_server\mini-interactive-main\rosetta_source\src\core/conformation/Conformation.hh line: 289