energy_data.excl_local — exclude certain local pairs of atoms

This specifies whether or not the atoms in a chemical bond, chemical angle, dihedral angle, and in the excluded pairs list respectively are considered in the construction of the non-bonded atom pairs list, and distance restraints. This is especially useful when simplified protein representations are used; e.g., when non-bonded restraints need to be used on Cα $ {}_i$ - Cα $ {}_{i+2}$ terms.

Automatic builds 2017-02-17