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IMP Reference Guide
2.18.0
The Integrative Modeling Platform
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A macro to build a Representation based on a Topology and lists of movers. More...
Inherits object.
A macro to build a Representation based on a Topology and lists of movers.
Definition at line 568 of file /macros.py.
Public Member Functions | |
| def | __init__ |
| Constructor. More... | |
| def | get_representation |
| Return the Representation object. More... | |
| def IMP.pmi1.macros.BuildModel.__init__ | ( | self, | |
| model, | |||
| component_topologies, | |||
list_of_rigid_bodies = [], |
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list_of_super_rigid_bodies = [], |
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chain_of_super_rigid_bodies = [], |
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sequence_connectivity_scale = 4.0, |
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add_each_domain_as_rigid_body = False, |
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force_create_gmm_files = False |
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| ) |
Constructor.
| model | The IMP model |
| component_topologies | List of IMP.pmi1.topology.ComponentTopology items |
| list_of_rigid_bodies | List of lists of domain names that will be moved as rigid bodies. |
| list_of_super_rigid_bodies | List of lists of domain names that will move together in an additional Monte Carlo move. |
| chain_of_super_rigid_bodies | List of lists of domain names (choices can only be from the same molecule). Each of these groups will be moved rigidly. This helps to sample more efficiently complex topologies, made of several rigid bodies, connected by flexible linkers. |
| sequence_connectivity_scale | For scaling the connectivity restraint |
| add_each_domain_as_rigid_body | That way you don't have to put all of them in the list |
| force_create_gmm_files | If True, will sample and create GMMs no matter what. If False, will only sample if the files don't exist. If number of Gaussians is zero, won't do anything. |
Definition at line 590 of file /macros.py.
| def IMP.pmi1.macros.BuildModel.get_representation | ( | self | ) |
Return the Representation object.
Definition at line 707 of file /macros.py.