next up previous contents index
Next: energy_data.radii_factor scale Up: The energy_data class: objective Previous: energy_data.dynamic_modeller calculate   Contents   Index

energy_data.excl_local -- exclude certain local pairs of atoms

This specifies whether or not the atoms in a chemical bond, chemical angle, dihedral/improper 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 $ {C}_\alpha$ $ {}_i$ - $ {C}_\alpha$ $ {}_{i+2}$ terms.



Automatic builds 2009-06-12