Parsimonious states restraints
Note
This type of restraints is still in experimental stage. In case of urgent use/set-up please contact: vasileios.rantos@embl-hamburg.de
, jan.kosinski@embl.de
They are defined in Parameter file by setting:
add_parsimonious_states_restraints = True
parameters
- add_parsimonious_states_restraints
Add parsimonious states restraints?, default: False
- parsimonious_states_weight
Weight, default: 1.0
- parsimonious_states_distance_threshold
Distance threshold for elastic network restraining the states, default: 0.0
- parsimonious_states_exclude_rbs
Python function to exclude selected rigid bodies from the restraint. Arguments: IMP’s rigid body object Return: True if the rigid body should be excluded., default: Some default function
- parsimonious_states_representation_resolution
Representation resolution for this restraint, default: 10
- parsimonious_states_restrain_rb_transformations
Restraint rigid body transformations instead of using elastic network, default: True