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IMP Reference Guide
develop.d4e9f3251e,2024/04/26
The Integrative Modeling Platform
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Restraint to keep all structures inside sphere. More...
Inheritance diagram for IMP.pmi1.restraints.basic.ExternalBarrier:Restraint to keep all structures inside sphere.
Definition at line 15 of file /restraints/basic.py.
Public Member Functions | |
| def | __init__ |
| Setup external barrier restraint. 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.basic.ExternalBarrier.__init__ | ( | self, | |
representation = None, |
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radius = 10.0, |
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hierarchies = None, |
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resolution = 10, |
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weight = 1.0, |
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center = None, |
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label = None |
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| ) |
Setup external barrier restraint.
| representation | DEPRECATED |
| radius | Size of external barrier |
| hierarchies | Can be one of the following inputs: IMP Hierarchy, PMI System/State/Molecule/TempResidue, or a list/set of them |
| resolution | Select which resolutions to act upon |
| weight | Weight of restraint |
| center | Center of the external barrier restraint (IMP.algebra.Vector3D object) |
| label | A unique label to be used in outputs and particle/restraint names. |
Definition at line 27 of file /restraints/basic.py.