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restrain_in_sphere.py
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## \example container/restrain_in_sphere.py
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## This fragment shows how to restrain a set of points stored in a SingletonContainer in a sphere of radius 'radius' centered around 'center'.
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import
IMP.example
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radius=10
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stiffness=2
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center=
IMP.algebra.Vector3D
(1,2,3)
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(m,c)=IMP.example.create_model_and_particles()
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ub=
IMP.core.HarmonicUpperBound
(radius, stiffness)
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# Restrain based on the distance to a single point (hence a ball
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ss=
IMP.core.DistanceToSingletonScore
(ub, center)
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r=
IMP.container.SingletonsRestraint
(ss, c)
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m.add_restraint(r)
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m.evaluate(
False
)