IMP
2.4.0
The Integrative Modeling Platform
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core/randomize_rigid_body.py
This fragment shows how to either perturb or set the orientation of a rigid body randomly.
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## \example core/randomize_rigid_body.py
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# This fragment shows how to either perturb or set the orientation of a rigid
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# body randomly.
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import
IMP.core
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import
IMP.algebra
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import
IMP
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m =
IMP.kernel.Model
()
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p =
IMP.kernel.Particle
(m)
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rbd =
IMP.core.RigidBody.setup_particle
(p,
IMP.algebra.ReferenceFrame3D
())
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translation =
IMP.algebra.get_random_vector_in
(
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IMP.algebra.get_unit_bounding_box_3d())
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# we don't yet have python code to generate a nearby rotation
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rotation =
IMP.algebra.get_random_rotation_3d
()
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transformation =
IMP.algebra.Transformation3D
(rotation, translation)
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# Option 1:
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# note, this overwrites the existing position
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rbd.set_reference_frame(
IMP.algebra.ReferenceFrame3D
(transformation))
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# Option 2:
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# perturb the existing transformation
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composed_tr = IMP.algebra.compose \
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(rbd.get_reference_frame().get_transformation_to(),
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transformation)
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rbd.set_reference_frame(
IMP.algebra.ReferenceFrame3D
(composed_tr))
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# Alternative to Option 2:
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IMP.core.transform
(rbd, transformation)