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IMP Reference Guide
develop.4390929e3e,2024/11/12
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
version 20241112.develop.4390929e3e
em2d/collision_cross_section.py
Example of how to compute the collision cross section of a molecule.
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## \example em2d/collision_cross_section.py
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# Example of how to compute the collision cross section of a molecule.
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#
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import
IMP
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import
IMP.em2d
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import
IMP.atom
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import
sys
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IMP.setup_from_argv
(sys.argv,
"collision cross section"
)
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"""
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Example of how to compute the collision cross section of a molecule
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"""
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IMP.set_log_level
(IMP.TERSE)
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m =
IMP.Model
()
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fn =
IMP.em2d.get_example_path
(
"1z5s.pdb"
)
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prot =
IMP.atom.read_pdb
(fn, m,
IMP.atom.ATOMPDBSelector
())
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IMP.atom.add_radii
(prot)
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projections = 20
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resolution = 1.0
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pixel_size = 1.5
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img_size = 80
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ccs =
IMP.em2d.CollisionCrossSection
(projections, resolution, pixel_size,
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img_size)
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ccs.set_model_particles(
IMP.atom.get_leaves
(prot))
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print(
"CCS"
, ccs.get_ccs(),
"A**2"
)