The group_restraints class: restraints on atom groups
Keywords: manual

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The `group_restraints` class: restraints on atom groups

The `group_restraints` class holds classifications of atoms into classes/groups, and restraints which act on certain atom groups. Such restraints are used, for example, for the statistical potentials (such as DOPE) used for loop modeling. These restraints are only calculated if energy_data.dynamic_modeller is set to `True`.

Subsections

- group_restraints() -- create a new set of group restraints
- group_restraints.append() -- read group restraint parameters