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