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

Automatic builds 2016-07-01