Recipe: ScanFiles0

created by jeff101

Profile

• Name: ScanFiles0
• ID: 104094
• Shared with: Public
• Parent: None
• Children:
  • ScanFiles0jonEnergyFix
• Created on: November 05, 2020 at 22:13 PM UTC
• Updated on: November 05, 2020 at 22:13 PM UTC
• Description:

  *0a4.txt 11/5/2020 350pm code

Code

-- ScanFiles by jeff101
-- last updated 350pm 11/5/2020.

function Main()
local sol,soli,ii
local nseg,score,way,mssg,jj,aa
--
-- See below for more details:
-- https://foldit.fandom.com/wiki/Foldit_Lua_Functions#save.GetSolutions
-- https://foldit.fandom.com/wiki/Foldit_Lua_Functions#save.LoadSolution
-- https://foldit.fandom.com/wiki/Foldit_Lua_Functions#save.LoadSolutionByName
-- https://foldit.fandom.com/wiki/Foldit_Lua_Functions#save.SaveSolution
-- 
sol=save.GetSolutions()
print('Found '..((#sol)+1)..' solution files:')
for ii=0,#sol do
   print('   Solution # '..ii..':')
   soli=sol[ii]
   print('      filename = '..soli.filename..'.')
   print('      name = '..soli.name..'.')
   print('      score = '..trunc3to0(soli.score)..'.')
end
print(' ')
for ii=1,#sol do
   soli=sol[ii]
   save.LoadSolutionByName(soli.name)
   nseg=structure.GetCount()
   score=current.GetScore()
   for way=1,2 do
      mssg=string.format('(%2d) %.3f: ',
         ii,trunc3to0(score))
      for jj=1,nseg do
         aa=structure.GetAminoAcid(jj)
         if way==1 and aa=='p' then -- list proline h-bonds
            mssg=string.format('%sp%d=%3.1f ',
               mssg,jj,current.GetSegmentEnergySubscore(jj,'Bonding'))
         elseif way==2 and aa=='c' then -- list cysteine s-s bonds
            mssg=string.format('%sc%d=%3.1f ',
               mssg,jj,current.GetSegmentEnergySubscore(jj,'Disulfides'))
         end -- if way
      end -- for jj
      mssg=string.format('%sfor %3d segments.',
         mssg,nseg)
      print(mssg)
   end -- for way
end -- for ii 
end -- Main()
      
-- below truncates val to nearest 0.001 towards 0
-- so 500.0029 becomes 500.002 
-- and -5.0029 becomes  -5.002
function trunc3to0(val)
if val>=0 then
   return math.floor(val*1000)/1000
else
   return math.ceil(val*1000)/1000
end -- if val
end -- trunc3to0()
-- above works right for positive and negative scores 11/5/2020.

-- below truncates val down to nearest 0.001
-- so 500.0029 becomes 500.002 
-- and -5.0029 becomes  -5.003
function trunc3(val)
return val-(val % 0.001)
end -- trunc3()

Main()

Comments

[jeff101]

See https://fold.it/portal/node/2010726 for details.