Recipe: nicm25.hti.ABChecker v1.01

created by Nicm25

Profile

• Name: nicm25.hti.ABChecker v1.01
• ID: 104862
• Shared with: Public
• Parent: None
• Children: None
• Created on: June 30, 2021 at 12:05 PM UTC
• Updated on: June 30, 2021 at 12:05 PM UTC
• Description:

  judging only by bending of backbone! (nullable segment select, number threshold, boolean highquality)

Code

-- created by Nicm25;
function pldc()
 local retd=dialog.CreateDialog("ABChecker Ver 1.01")
 retd.la=dialog.AddLabel("                                beta...                        ...alpha")
 retd.si=dialog.AddSlider("threshold",0.5,0.0,1.0,2)
 retd.ck=dialog.AddCheckbox("high Quality",false)
 retd.bt=dialog.AddButton("OK",1)
 return retd
end

function plss()
 local lc=1
 local retd={}
 for lc=1,structure.GetCount() do
  retd[lc]=selection.IsSelected(lc) and 1 or 0
 end
 return retd
end

function run(avs,avx,avy)
local segs=0
local sege=0
local stcd={}
local lc=0
local setdi=0.0
local sethq=false
if avx<-0.001 or avx>1.001 then
 return 1
end
setdi=avx+0.2
setdi=setdi*setdi*1.8
sethq=avy and true or false
sege=#avs
if selection.GetCount()>1.5 then
 for lc=1,sege do
  if avs[lc]>0.5 then
   if segs<0.5 then
    segs=lc
   else
    sege=lc
   end
  end
 end
else
 segs=1
 for lc=1,sege do
  if structure.IsLocked(lc) then
   segs=lc+1
  end
 end
end
if segs>sege-2 then
 print("not supported partial puzzle")
 return 1
end
for lc=segs+1,sege-1 do
 stcd[lc-segs+1]=structure.GetDistance(lc-1,lc+1)+
 (sethq and(structure.GetDistance(lc-1,lc)+structure.GetDistance(lc,lc+1)-7.63)*7.0 or 0.0)
end
selection.DeselectAll()
selection.SelectRange(segs,sege)
undo.SetUndo(false)
structure.SetSecondaryStructureSelected("l")
selection.DeselectAll()
for lc=segs+1,sege-1 do
 if stcd[lc-segs+1]<4.7+setdi then
  selection.Select(lc)
 end
end
structure.SetSecondaryStructureSelected("h")
selection.DeselectAll()
for lc=segs+1,sege-1 do
 if stcd[lc-segs+1]>5.2+setdi then
  selection.Select(lc)
 end
end
undo.SetUndo(true)
structure.SetSecondaryStructureSelected("e")
selection.DeselectAll()
return 0
end

local lfi=0
local tdr=pldc()
lfi=dialog.Show(tdr)
if lfi>0.5 then
 lfi=run(plss(),tdr.si.value,tdr.ck.value)
 if lfi>0.5 then
  print("terminated by exception error")
 end
end

Comments

[Nicm25]

thank you for your interest.
this is by product of bootstrap, where i prepare tools myself from beginning
and my personal 'Hand Tools, Information such package'(hti).

In this little script, setting secondary structure based on shape of backbone
set like straight line is sheets, and bending is helices, else is loops.
3 arguments
select: currently selected segment will be this argument(not in dialog), if none select is 'all apply'.
threshold: when biased ratio of helices(alpha) and sheets(beta), you can adjust to balance.
range: 0.0-1.0, default: 0.5, function: 1.0 is alpha side, 0.0 is beta side
highquality: additional checking backbone distortion on assumption that it has already been idealized.
default: false, function: false is none, true is additional checking
int return: whether it was successfully. function: 0 is okay, else is problem

[Nicm25]

improved to undo history into one task.
other that, there are no changes to specifications.