The EnergyProfile class: a per-residue energy profile

The EnergyProfile class holds a per-residue energy profile, as returned by selection.get_dope_profile(), selection.get_dopehr_profile(), or model.get_normalized_dope_profile().

An energy profile acts like a Python list; each element in the list corresponds to a residue in the model for which the profile was calculated. Each element is an object that contains three attributes. energy is the contribution to the energy function that can be attributed to restraints on this residue; num_restraints is the number of restraints that act on this residue; normalized_energy is simply the energy divided by the number of restraints.


Automatic builds 2017-02-17