Recipe: Cut Around Cysteine

created by marsfan

Profile

• Name: Cut Around Cysteine
• ID: 103592
• Shared with: Public
• Parent: None
• Children:
  • Cut Around Cysteine fix
• Created on: June 24, 2020 at 22:38 PM UTC
• Updated on: June 24, 2020 at 22:38 PM UTC
• Description:

  Disulfide Bridges are very strong, and can block wiggles from happening. A fix for this is to isolate the bond by cutting around it.

  To make the recipe skip cutting around segment, add a note to that segment that contains the string "<NC>"

Code

function checkAndCut(segment)
    -- Check if segment is within range  (to avoid crashing foldit)
    if (segment <= structure.GetCount()) and (segment > 0) then 
        -- Check if no cut flag in note.
        if not string.find(structure.GetNote(segment), "<NC>") then
            structure.InsertCut(segment)
        end
    end
end



function main()
    -- Iterate through all segments
    for segment=1, structure.GetCount() do 
        -- Check if the segment is cysteine
        if structure.GetAminoAcid(i)== 'c' then
            -- Cut around segment, but do it safely to avoid crashing. 
            checkAndCut(segment)
            checkAndCut(segment-1)
        end
    end
    print("Done")
end

function cleanup(err)
    if string.find(err, "Cancelled") then
        print("User Cancelled")
    else
        print(err)
    end
    return err
end

xpcall(main, cleanup)