IMP Reference Guide
2.20.2
The Integrative Modeling Platform
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Restrain the dihedral between planes defined by three particles. More...
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.