Recipe: simple wiggle by ones v2

created by LociOiling

Profile

• Name: simple wiggle by ones v2
• ID: 102608
• Shared with: Public
• Parent: None
• Children:
  • simple wiggle by steps v2
  • Gabs 1st Recipe
• Created on: January 30, 2018 at 05:37 AM UTC
• Updated on: January 30, 2018 at 05:37 AM UTC
• Description:

  Local wiggle each segment in the protein. Adapted from the original v1 version by themarquis.

Code

-- 
--  simple wiggle by ones v2
-- 
--  adapted from "simple wiggle by ones" by themarquis
--
--  Converted to Foldit Lua interface v2
--
--  LociOiling - 2018/01/29
--

--
--  round numbers to three decimal places
--
function round ( x )
    return x - x % 0.001
end

-- 
--  get and print the number of segments in the protein
--
numSegs = structure.GetCount ()     
print ( "segment count = " .. numSegs )   

--
--  get and print the initial score
--
startscore = current.GetEnergyScore ()
print ( "starting score = " .. round ( startscore ) ) 

--
--  This basic loop we be can used in many different scripts.   
--  It goes through each residue the protein and does something to it.

for seg = 1, numSegs do
--
--  make sure nothing is selected
--
    selection.DeselectAll ()                                               
   
--
--  pick the segments to work on by selecting them    
--  for this recipe, we'll select just one segment
--
    selection.Select ( seg )                                        

--
--  get the segment's score
--
    segscore = current.GetSegmentEnergyScore ( seg )
--
--  print the segment number and score
--
    print ( "segment " .. seg .. ", score = " .. round ( segscore ) )

--
--  apply the local wiggle tool
--
    structure.LocalWiggleSelected ( 5 ) 
--
--  get the segment's score
--
    afterscore = current.GetSegmentEnergyScore ( seg )
    if afterscore > segscore then
        gain =  round ( afterscore - segscore )
        if gain > 0 then
            print ( "segment " .. seg .. " gained " .. gain )
        else
            print ( "segment " .. seg .. " tiny gain" )
        end
    end
end                                                                    

--
--  print the final score
--
endscore = current.GetEnergyScore ()
print ( "ending score = " .. round ( endscore ) .. ", gain = " .. round ( endscore - startscore ) )

Comments

[LociOiling]

Simple wiggle by ones does a local wiggle of each segment in the protein.

This version has been converted to v2 of the Foldit Lua interface. The messages have been slightly expanded.

This recipe is discussed in Lua Scripting Tutorial (Intermediate) on the Foldit wiki. The tutorial is being updated to use the new version of the recipe.

Thanks to themarquis for the original recipe and tutorial.

[WBarme1234]

Loosing points instead winning - I prefer to gain only more points
(I tried it with puzzle 1496: -12 points)

[robgee]

Nice, Thnx LociOiling.
Used it and the Tutorial to learn, then used it as a base to make my own version.