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IMP Reference Guide
develop.98ef8da184,2024/04/23
The Integrative Modeling Platform
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Restrain the dihedral between planes defined by three particles. More...
Inheritance diagram for IMP.pmi1.restraints.stereochemistry.PlaneDihedralRestraint:Restrain the dihedral between planes defined by three particles.
This restraint is useful for restraining the twist of a string of more or less identical rigid bodies, so long as the curvature is mild.
Definition at line 1342 of file /restraints/stereochemistry.py.
Public Member Functions | |
| def | __init__ |
| Constructor. More... | |
| Public Member Functions inherited from IMP.pmi1.restraints.RestraintBase | |
| def | __init__ |
| Constructor. More... | |
| def | add_to_model |
| Add the restraint to the model. More... | |
| def | evaluate |
| Evaluate the score of the restraint. More... | |
| def | get_output |
| Get outputs to write to stat files. More... | |
| def | get_particles_to_sample |
| Get any created particles which should be sampled. More... | |
| def | get_restraint |
| Get the primary restraint set. More... | |
| def | get_restraint_for_rmf |
| Get the restraint for visualization in an RMF file. More... | |
| def | get_restraint_set |
| Get the primary restraint set. More... | |
| def | set_label |
| Set the unique label used in outputs and particle/restraint names. More... | |
| def | set_weight |
| Set the weight to apply to all internal restraints. More... | |
| def IMP.pmi1.restraints.stereochemistry.PlaneDihedralRestraint.__init__ | ( | self, | |
| particle_triplets, | |||
angle = 0.0, |
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k = 1.0, |
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label = None, |
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weight = 1.0 |
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| ) |
Constructor.
| particle_triplets | List of lists of 3 particles. Each triplet defines a plane. Dihedrals of adjacent planes in list are scored. |
| angle | Angle of plane dihedral in degrees |
| k | Strength of restraint |
| label | Label for output |
| weight | Weight of restraint |
ote Particles defining planes should be rigid and more or less parallel for proper behavior
Definition at line 1355 of file /restraints/stereochemistry.py.