IMP
2.0.0
The Integrative Modeling Platform
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algebra/geometry.py
algebra/grid_space.py
atom/assess_dope.py
atom/brownian_statistics.py
atom/cg_pdb.py
atom/charmm_forcefield.py
atom/charmm_forcefield_verbose.py
atom/dope_and_excluded_volume.cpp
atom/load_protein_restrain_bonds.py
atom/markers.py
atom/molecular_hierarchy.py
atom/rigid_brownian_dynamics.py
atom/score_protein_with_ligand.py
atom/structure_from_sequence.py
base/log.py
container/bipartite_nonbonded_interactions.py
container/connectivity.py
container/filter_close_pairs.py
container/nonbonded_interactions.py
container/restrain_in_sphere.py
core/connectivity_restraint.py
core/cover_particles.py
core/custom_hierarchy.py
core/excluded_volume.py
core/incremental_mc.py
core/ms_connectivity_restraint.py
core/optimize_balls.py
core/pair_restraint.py
core/randomize_rigid_body.py
core/restrain_diameter.py
core/restrain_minimum_distance.py
core/rigid_bodies.py
core/rigid_collisions.py
core/symmetry.py
core/XYZ_Decorator.py
core/XYZR_Decorator.py
display/basic_geometry.py
display/display_log.py
display/displaying_ensembles.py
display/show_particles_as_spheres.py
domino/custom_filter.py
domino/domino_approach.py
domino/interactive.py
domino/interactive_with_containers.py
domino/marina_party.py
domino/merge_tree.py
domino/multiscale.py
domino/restraint_cache.py
domino/rigid_body_excluded_volume.py
domino/save_assignments.py
domino/six_particles_optimization.py
em/analyze_convergence.py
em/cube.py
em/fit_restraint.py
em/generate_density_map_of_fixed_dimension.py
em/local_fitting.py
em/pdb2density.py
em2d/clustering_of_pdb_models.py
em2d/collision_cross_section.py
em2d/em_images_conversion.py
em2d/optimize_em2d_with_montecarlo.py
example/range_restriction.py
gsl/simplex.py
kernel/basic_optimization.py
kernel/chain.py
kernel/dependency_graph.py
kernel/dock_with_crosslinks.py
kernel/graph.py
kernel/nup84.py
kernel/setup.py
kernel/write_a_restraint.py
kernel/write_an_optimizer_state.py
kmeans/kmeans_example.py
misc/decay.py
modeller/imp_restraints_in_modeller.py
modeller/load_modeller_model.py
modeller/modeller_restraints_in_imp.py
modules/rotamer/examples/rotamer_pdb.py
parallel/local_distance.py
parallel/tasks.py
restrainer/basic_display.py
restrainer/basic_setup.py
restrainer/em_restraint.py
restrainer/nup84_complex_in_bead_representation.py
restrainer/rigid_body_and_excluded_volume_restraint.py
restrainer/saxs_restraint.py
restrainer/simple_connectivity_on_molecules.py
restrainer/simple_connectivity_on_rigid_bodies.py
restrainer/simple_diameter.py
restrainer/simple_distance.py
restrainer/simple_em_fit.py
restrainer/simple_excluded_volume.py
rmf/geometry.py
rmf/link.py
rmf/multiresolution.py
rmf/pdb.py
rmf/simulation.py
rotamer/rotamer_pdb.py
saxs/profile.py
saxs/profile_fit.py
statistics/kmeans.py
statistics/write_a_metric.py
algebra/geometry.py
IMP.algebra
provides a set of geometric primitives and basic operations on them.
1
## \example algebra/geometry.py
2
## IMP.algebra provides a set of geometric primitives and basic operations on them.
3
4
import
IMP.algebra
5
6
# we can create some spheres
7
s=[]
8
for
i
in
range(0,10):
9
s.append(
IMP.algebra.Sphere3D
(
IMP.algebra.get_random_vector_in
(IMP.algebra.get_unit_bounding_box_3d()), .1))
10
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# we can compute a sphere which contains them all
12
enclosing=
IMP.algebra.get_enclosing_sphere
(s)
13
14
print
enclosing.get_contains(s[0])
15
16
print
IMP.algebra.get_distance
(s[0], s[1])
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# or between the centers
18
print
IMP.algebra.get_distance
(s[0].get_center(), s[1].get_center())
19
20
# create a cylinder
21
c=
IMP.algebra.Cylinder3D
(
IMP.algebra.Segment3D
(s[0].get_center(), s[1].get_center()), 1)
22
print
c
23
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# manipulate bounding boxes
25
bb=
IMP.algebra.BoundingBox3D
()
26
for
si
in
s:
27
bb+=
IMP.algebra.get_bounding_box
(si)