Recipe: AA_subscores_distances

created by brgreening

Profile

• Name: AA_subscores_distances
• ID: 48490
• Shared with: Public
• Parent: None
• Children:
  • AA_subscores_distances 1.01
• Created on: March 11, 2014 at 03:43 AM UTC
• Updated on: March 11, 2014 at 03:43 AM UTC
• Description:

  prints the names of the amino acids and their sub-scores for the amino acids in a protein. It prints the diatances between neighbor amino acids.

Code

-- This program goes through a puzzle and prints the abreviation for each amino acid
-- It prints out the score for each amino acid.  It does nothing to improve your score.
-- It prints out the distances between neighbor amino acids.
-- There is a problem that saving a puzzle solution other members of a group
-- can loose points.  Hopefully the information printed out here will help solve
-- this problem.

-- find the script output in scriptlog.default.xml in the C:\Foldit directory

psn_table = {}

function basic_info()
    print( "Puzzle name: ", puzzle.GetName() )
    print( "Score: ", current.GetEnergyScore() )
    -- print( "Score: ", scoreboard.GetScore() )
    print( "User: ", user.GetPlayerName() )
    print( "Group: ", user.GetGroupName() )
    print( "Date Time: ", os.date("%c") )
    end

function init_sub_names()
	psn_table = puzzle.GetPuzzleSubscoreNames()

	for ix = 1, table.getn( psn_table ) do
		-- print( psn_table[ix] )
		end
	end

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

	aa_abrv_tab = { 'Ala', 'Cys', 'Asp', 'Glu', 'Phe', 'Gly', 'His', 'Ile', 'Lys', 'Leu',
                'Met', 'Asn', 'Pro', 'Gln', 'Arg', 'Ser', 'Thr', 'Val', 'Trp', 'Tyr' }

	aa_name_tab = { "Alanine", "Cysteine", "Aspartic acid", "Glutamic acid",
                "Phenylalanine", "Glycine", "Histidine", "Isoleucine",
				"Lysine", "Leucine", "Metheonine", "Asparagine",
				"Proline", "Glutamine", "Argnine", "Serine",
				"Threonine", "Valine", "Tryptophan", "Tyrosine" }

	aa_count = structure.GetCount()  -- number of amino acids in the protein

	for p_ix = 1, aa_count do

		aa_ltr = structure.GetAminoAcid( p_ix )
  sec_struct = structure.GetSecondaryStructure( p_ix )

		for aa_ix = 1, 20 do
			if aa_ltr == aa_ltr_tab[ aa_ix ] then
				aa_abrv = aa_abrv_tab[ aa_ix ]
				aa_name = aa_name_tab[ aa_ix ]
			end
		end
  dist_str = " "
  if p_ix > 1 then
       dist_str = structure.GetDistance( p_ix - 1, p_ix)
  end
		print( p_ix, aa_abrv, current.GetSegmentEnergyScore( p_ix ), sec_struct, dist_str )

		for iy = 1,table.getn( psn_table ) do
			ls = string.lower( psn_table[ iy ] )
			ses = current.GetSegmentEnergySubscore( p_ix, ls )
			-- if ses ~= 0 then
				-- print( "     ", string.format( "%-12s", ls ), string.format( " %18.8f", ses ) )
				-- end
			end
		-- print( "    " )
		end

	end

basic_info()
init_sub_names()
print_sub_energy()