Recipe: nicm25.htb.MagneticBinder v1.02

created by Nicm25

Profile

• Name: nicm25.htb.MagneticBinder v1.02
• ID: 104860
• Shared with: Public
• Parent: None
• Children: None
• Created on: June 30, 2021 at 12:02 PM UTC
• Updated on: June 30, 2021 at 12:02 PM UTC
• Description:

  attracting separate proteins! (segment select, number threshold, number length, number strength)

Code

-- created by Nicm25;
function pldc()
 local retd=dialog.CreateDialog("MagneticBinder Ver 1.02")
 retd.la=dialog.AddLabel("                                none...                        ...many")
 retd.sn=dialog.AddSlider("threshold",0.1,0.0,1.0,2)
 retd.si=dialog.AddSlider("band length",0.5,0.0,2.0,2)
 retd.ss=dialog.AddSlider("band strength",1.0,0.5,1.5,2)
 retd.bt=dialog.AddButton("OK",1)
 return retd
end

function plfa(avx,avy,avz,ava)
 local lfx=structure.GetDistance(avx,avz)
 local lfy=structure.GetDistance(avy,avz)
 return (lfx+lfy)*(lfx-lfy)*0.5/ava
end

function plfb(avx,avy,avz,ava)
 local retv=1.0
 if ava>0.01 then
  retv=(avx>avy and avx-avy or avy-avx)-ava
  retv=retv*(retv<0.0 and -2.0 or 2.0)+(avx+avy<0.0 and -avx-avy or avx+avy)
  retv=1.0-1.0/(retv*0.05+1.0)
  retv=1.0-(retv*retv)
 end
 retv=(avx>avy and avx-avy or avy-avx)/avz*retv
 return retv
end

function plfc()
 local lc=0
 local lfd=dialog.SelectSegments()
 selection.DeselectAll()
 for lc=1,#lfd do
  selection.Select(lfd[lc])
 end
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,avz)
local segs=0
local sege=0
local segl=0
local stci=0
local stcl=0.0
local stcs=0.0
local stcd={}
local lc=0
local setbl=0.0
local setbs=0.0
local setth=0.0
if avx<-0.001 or avx>1.001 or avy<-0.001 or avy>2.001 or avz<-0.001 or avz>10.001 then
 return 1
end
setth=1.0-avx
setbl=avy-1.0
setbs=avz
setbl=(setbl*setbl)*(setbl<0.0 and -1.0 or 1.0)
sege=#avs
segl=sege
if selection.GetCount()<1.5 then
 plfc()
end
if selection.GetCount()<1.5 then
 print("input error not 2 selected")
 return 1
end
for lc=segs+1,sege do
 if selection.IsSelected(lc) then
  if segs<0.5 then
   segs=lc
  else
   sege=lc
  end
 end
end
stcl=structure.GetDistance(segs,sege)
for lc=1,segl do
 stcd[lc]=plfa(segs,sege,lc,stcl)
end
undo.SetUndo(false)
for lc=1,segl do
 for lpo=lc+5,segl do
  stcs=structure.GetDistance(lc,lpo)
  if plfb(stcd[lc],stcd[lpo],stcs,stcl)>setth then
   stci=band.AddBetweenSegments(lc,lpo,2,2,0)
   band.SetGoalLength(stci,(plfb(stcd[lc],stcd[lpo],stcs,0.0)*setbl+1.0)*stcs)
   band.SetStrength(stci,setbs)
  end
 end
end
undo.SetUndo(true)
if stci>0.5 then
 band.SetStrength(stci,setbs)
end
return 0
end

local lfi=0
local tdr=pldc()
lfi=dialog.Show(tdr)
if lfi>0.5 then
 lfi=run(plss(),tdr.sn.value,tdr.si.value,tdr.ss.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, Bands such package'(htb).

In this little script, bands attaching as selected distant proteins each targeting 2 segments.
(no support symmetry puzzles)
4 arguments
select: currently 2 selected segment will be this argument, if none select is error.
threshold: based on consistency to target, you can adjust to ignore anything irrelevant.
range: 0.0-1.0, default: 0.1, function: 1.0 is all valid, 0.0 is almost ignore
length: set band length, multiply by current distance and pulling.
range: 0.0-2.0, default: 0.5, function: 1.0 is current distance, 2.0 is far distance, 0.0 is zero distance
strength: set band strength, same as band strength
range: 0.5-1.5 (ext0.0-10.0), default: 1.0, function: 1.0 is standard, 0.5 is weak, 1.5 is intense
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.