Recipe: Freezing for Refinement

created by brow42

Profile

• Name: Freezing for Refinement
• ID: 43403
• Shared with: Public
• Parent: Freezing for 598
• Children:
  • Freezing for Refinement
• Created on: July 18, 2012 at 19:01 PM UTC
• Updated on: July 18, 2012 at 19:01 PM UTC
• Description:

  This script toggles between freezing known good parts and known bad parts in a refinement puzzle. Requires CASP notes, or you can manually set in script.

Code

--[[ 
  ===================================
  * Freezing for Refinement
  * Original Author: Brow42
  * Version 1.0 July 18 2012

  * This freeze either the known good sections
  * or the known bad sections of a refinement
  * puzzle, if CASP has given us this information.
  * Each time you run it it will automatically switch
  * between the to groups. No dialog to make this easy.
  *
  * You can set the known bad regions manually at
  * the top of the script if there are no notes.
  * Or, you can add a note to any segment of the
  * form 'Regions a-b c-d e-f' where a b c d e f etc
  * are bad regions.
  
--]]

-- known bad regions, uncomment to specify
-- regions = { {43,52}, {79,92}, {104,118} }

N = structure.GetCount()

-- autodetect regions from notes
regions = regions or {}
if #regions == 0 then
    for i = 1,N do
        note = structure.GetNote(i)
        if note:find('[rR]esidues +%d+ *- *%d+') then
            for u,v in note:gfind('(%d+) *- *(%d+)') do
                regions[#regions+1] = {tonumber(u),tonumber(v)}
            end
        end
    end
    if #regions == 0 then
        d = dialog.CreateDialog('No regions to refine specified!')
        d.l1 = dialog.AddLabel('Require list of regions that need refinement!')
        d.l2 = dialog.AddLabel('Either edit the regions variable in the script, or add a')
        d.l3 = dialog.AddLabel('note "Regions a-b c-d" listing bad regions a-b, c-d, etc.')
        d.ok = dialog.AddButton('Okay',1)
        dialog.Show(d)
        return
    end
end

-- complement of known bad = known good
alt = {}
-- pass in lower upper bad segments
function AddBetween(a,b)
    a,b = a+1, b-1
    if b >= a then alt[#alt+1] = {a,b} end
end

-- known good regions
alt = {}
AddBetween(0,regions[1][1])
for i=1,#regions-1 do
    AddBetween(regions[i][2],regions[i+1][1])
end
AddBetween(regions[#regions][2],N+1)

NAlt = 0 -- number frozen when only known good is frozen
for i = 1,#alt do
    NAlt = NAlt + alt[i][2] - alt[i][1] + 1
end

function freeze.GetCount()
    local n = 0
    for i = 1,N do n = n + (freeze.IsFrozen(i) and 1 or 0) end
    return n
end

function Freeze(tab)
    selection.DeselectAll()
    freeze.UnfreezeAll()
    for i = 1,#tab do
        selection.SelectRange(unpack(tab[i]))
    end
    freeze.FreezeSelected(true,false)
    selection.DeselectAll()
end

NF = freeze.GetCount()

if NF ~= NAlt then Freeze(alt) else Freeze(regions) end

Comments

[brow42]

• Freezing for Refinement
• Original Author: Brow42
• Version 1.0 July 18 2012

This freeze either the known good sections or the known bad sections of a refinement puzzle, if CASP has given us this information. Each time you run it it will automatically switch between the to groups. No dialog so you just re-run it.

You can set the known bad regions manually at the top of the script if there are no notes. Or, you can add a note to any segment of the form 'Regions a-b c-d e-f' where a b c d e f etc are bad regions.