IMP
2.1.1
The Integrative Modeling Platform
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kernel/setup.py
Standard setup code.
1
## \example kernel/setup.py
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# Standard setup code.
3
4
import
IMP.core
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6
7
def
create_model_and_particles():
8
m =
IMP.kernel.Model
()
9
ps = [
IMP.kernel.Particle
(m)
for
i
in
range(0, 100)]
10
bb =
IMP.algebra.BoundingBox3D
(
IMP.algebra.Vector3D
(0, 0, 0),
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IMP.algebra.Vector3D
(10, 10, 10))
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for
p
in
ps:
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d =
IMP.core.XYZR.setup_particle
(
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p,
IMP.algebra.Sphere3D
(
IMP.algebra.get_random_vector_in
(bb), 1))
15
d.set_coordinates_are_optimized(
True
)
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sc =
IMP.container.ListSingletonContainer
(ps)
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return
(m, sc)