IMP logo
IMP Reference Guide  develop.af393bce43,2020/02/22
The Integrative Modeling Platform
IMP.pmi1.macros.BuildModel Class Reference

A macro to build a Representation based on a Topology and lists of movers. More...

Inherits object.

Detailed Description

A macro to build a Representation based on a Topology and lists of movers.

Note
This class is only available in Python.

Definition at line 568 of file /macros.py.

Public Member Functions

def __init__
 Constructor. More...
 
def get_representation
 Return the Representation object. More...
 

Constructor & Destructor Documentation

def IMP.pmi1.macros.BuildModel.__init__ (   self,
  model,
  component_topologies,
  list_of_rigid_bodies = [],
  list_of_super_rigid_bodies = [],
  chain_of_super_rigid_bodies = [],
  sequence_connectivity_scale = 4.0,
  add_each_domain_as_rigid_body = False,
  force_create_gmm_files = False 
)

Constructor.

Parameters
modelThe IMP model
component_topologiesList of IMP.pmi1.topology.ComponentTopology items
list_of_rigid_bodiesList of lists of domain names that will be moved as rigid bodies.
list_of_super_rigid_bodiesList of lists of domain names that will move together in an additional Monte Carlo move.
chain_of_super_rigid_bodiesList 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_scaleFor scaling the connectivity restraint
add_each_domain_as_rigid_bodyThat way you don't have to put all of them in the list
force_create_gmm_filesIf 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.

Member Function Documentation

def IMP.pmi1.macros.BuildModel.get_representation (   self)

Return the Representation object.

Definition at line 707 of file /macros.py.


The documentation for this class was generated from the following file: