Recipe: ED Structure Score

created by brow42

Profile

• Name: ED Structure Score
• ID: 47424
• Shared with: Public
• Parent: None
• Children: None
• Created on: December 05, 2013 at 04:59 AM UTC
• Updated on: December 05, 2013 at 04:59 AM UTC
• Description:

  Splits up your score into structure and electron-density-matching parts.

Code

--[[

  * ED Structure Score

  * Quicky script Dec 4, 2013 Brow42

--]]

sum = 0
for i = 1,structure.GetCount() do
    sum = sum + current.GetSegmentEnergySubscore(i,'Density')
end
ss = current.GetScore() - sum * 2

msg1 = "Your protein structure score is: %0.3f"
msg2 = "Your ED penalty/bonus is: %0.3f"

print (msg1:format(ss))
print (msg2:format(sum*2))

d = dialog.CreateDialog("ED Structure Score")
d.line1 = dialog.AddLabel(msg1:format(ss))
d.line2 = dialog.AddLabel(msg2:format(sum*2))
d.button = dialog.AddButton("Dismiss",1)

dialog.Show(d)