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IMP Reference Guide  develop.731656d855,2020/02/16
The Integrative Modeling Platform
example/range_restriction.py

This example shows how to use the example singleton modifier to constrain the coordinates of a set of particles to remain within a box.

1 ## \example example/range_restriction.py
2 # This example shows how to use the example singleton modifier to constrain the
3 # coordinates of a set of particles to remain within a box.
4 
5 import IMP.example
6 import IMP.core
7 import IMP.container
8 import sys
9 
10 # you can use this argument to shorten the test, if necessary
11 IMP.add_bool_flag("test", "Run a minimal test on the script")
12 
13 # parse standard IMP flags
14 IMP.setup_from_argv(sys.argv, "A trivial example of an example.")
15 
16 
18  IMP.algebra.Vector3D(10, 10, 10))
19 
20 m = IMP.Model()
21 ps = IMP.core.create_xyzr_particles(m, 20, 1)
23 
24 # apply the range restriction modifier to each each particle in sc
27 m.add_score_state(ss)
28 
29 # now optimize and things
30 # ...