Recipe: Segment data with small name v1.4

created by Mike Cassidy

Profile

• Name: Segment data with small name v1.4
• ID: 34389
• Shared with: Public
• Parent: None
• Children: None
• Created on: October 25, 2011 at 16:51 PM UTC
• Updated on: October 25, 2011 at 16:51 PM UTC
• Description:

  Segment Data with Small Name

Code

--Segment Data with Small Name v 1.4
segCnt = structure.GetCount() 

function swop(this)
    segName = schains[this] 
    --print(segName, this)
end

schains = {}
s = {}

schains= {
   a = "Ala", 
   b = "Asx", 
   c = "Cys",
   d = "Asp",
   e = "Glu",
   f = "Phe",
   g = "Gly",
   h = "His",
   i = "Ile",
   j = "Xle", 
   k = "Lys",
   l = "Leu",
   m = "Met",
   n = "Asn",
   o = "Pyl", 
   p = "Pro",
   q = "Gln",
   r = "Arg",
   s = "Ser",
   t = "The",
   u = "Sec", 
   v = "Val",
   w = "Trp",
   x = "Xaa",
   y = "Tyr",
   z = "Glx" ,
}

for i = 1, segCnt do 
    snaps = rotamer.GetCount(i)
    segScore = current.GetSegmentEnergyScore(i)
    segScore1 = current.GetSegmentEnergySubscore(i,"clashing")
    segScore2 = current.GetSegmentEnergySubscore (i, "packing" )   
    segFreeze = freeze.IsFrozen(i)
    segMutant = structure.IsMutable(i)
    if  pcall(structure.GetAminoAcid,i) then segName = structure.GetAminoAcid(i) end

   pcall(swop, segName)
    
    s [i] = {i, snaps, segScore, segScore2, segFreeze, segMutant, segName}

    print("Seg # = ", i)
    print("Name =", s[i][7])
    print("Seg score =", s[i][3])
    print("# of positions =", s[i][1])
    print("Number of positions =", s[i][2])
    print("Clashing =", s[i][4])
    print("Frozen? =", s[i][5])
    print("Mutant? =", s[i][6])
    print(" ")

end

Comments

[Hanto]

Very nice Mike