Recipe: Band known contact points

created by Brian the Prion

Profile

• Name: Band known contact points
• ID: 101311
• Shared with: Public
• Parent: None
• Children: None
• Created on: August 09, 2015 at 00:19 AM UTC
• Updated on: August 09, 2015 at 00:19 AM UTC
• Description:

  For "Predicted Contacts" Puzzles. Creates disabled bands between points with a "heat" of 1.0. This gives you visual cues to help you fold the protein manually.

Code

-- Contact Map - band known contact points
-- version 1.0.0 
-- foldit@lexogram.com

-- Code shamelessly take from Susume's recipe
-- Band All Contacts Adaptive v2.2
-- http://fold.it/portal/recipe/101238
BETA_CARBON = 5
TERMINAL_BETA = 6
CENTER_CARBON = 2
GLYCINE = "g"
-- End of code shamelessly taken 

segmentCount = structure.GetCount()

band.DeleteAll()

for source = 1, segmentCount-2 do
    for target = source+2, segmentCount do
        heat = contactmap.GetHeat(source, target)
        if (heat > 0.999) then
            print ("Segments: "..source..", "..target..", Heat: "..heat)
-- Code shamelessly taken
            if structure.GetAminoAcid(source)==GLYCINE then
                Atom1 = CENTER_CARBON
            elseif source==EndSegment then
                Atom1 = TERMINAL_BETA
            else
                Atom1 = BETA_CARBON
            end

            if structure.GetAminoAcid(target)==GLYCINE then
                Atom2 = CENTER_CARBON
            elseif target==EndSegment then
                Atom2 = TERMINAL_BETA
            else
                Atom2 = BETA_CARBON
            end
            
            b = band.AddBetweenSegments(source,target,Atom1,Atom2)
-- End of code shamelessly taken            
        end
    end
end

band.DisableAll()