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- Description:
- This modulates the effect of residue_span_range; if
True, the disulfide bridges are taken into account when calculating
the residue index difference between two atoms (i.e., disulfides make some
atom pairs closer in sequence). energy_data.covalent_cys = True is
slow and only has an effect when certain statistical non-bonded potentials
are used (i.e., energy_data.dynamic_modeller is True and the
non-bonded library has been derived considering the disulfide effect).
Thus, it should generally be set to False.
Ben Webb
2005-06-20