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IMP Reference Guide
develop.e004443c3b,2024/04/25
The Integrative Modeling Platform
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A simple distance restraint. More...
Inheritance diagram for IMP.pmi1.restraints.basic.DistanceRestraint:A simple distance restraint.
Definition at line 76 of file /restraints/basic.py.
Public Member Functions | |
| def | __init__ |
| Setup distance 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.DistanceRestraint.__init__ | ( | self, | |
representation = None, |
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tuple_selection1 = None, |
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tuple_selection2 = None, |
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distancemin = 0, |
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distancemax = 100, |
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resolution = 1.0, |
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kappa = 1.0, |
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root_hier = None, |
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label = None, |
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weight = 1.0 |
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| ) |
Setup distance restraint.
| representation | DEPRECATED |
| tuple_selection1 | (resnum, resnum, molecule name, copy number (=0)) |
| tuple_selection2 | (resnum, resnum, molecule name, copy number (=0)) |
| distancemin | The minimum dist |
| distancemax | The maximum dist |
| resolution | For selecting particles |
| kappa | The harmonic parameter |
| root_hier | The hierarchy to select from (use this instead of representation) |
| label | A unique label to be used in outputs and particle/restraint names |
| weight | Weight of restraint |
ote Pass the same resnum twice to each tuple_selection. Optionally add a copy number (PMI2 only)
Definition at line 96 of file /restraints/basic.py.