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Recipe: Sphered ligand mutate
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Name: Sphered ligand mutate
ID: 9519
Created on: Sat, 08/28/2010 - 09:34
Updated on: Sat, 08/28/2010 - 16:34
Description:

Selects only segments which are close enough to the ligand and mutates them, making mutating faster.



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Joined: 09/18/2009
Groups: SETI.Germany
Code

function select_ligand_sphere(Distance)
print("Selecting sphere around ligand. Distance:",Distance)
local Distance=Distance
local NumSegs=get_segment_count() -- get number of all segments, last index is ligand
local LastSeg=NumSegs-1 -- last segment to check

local k
for k=1,LastSeg do
local ADistance=get_segment_distance(k,NumSegs)
if ADistance<=Distance then
print("Index ",k," is close enough. Dist:",ADistance)
select_index(k)
end -- if
end -- k loop
end -- function

deselect_all()
select_ligand_sphere(15)
do_mutate(1)

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons