#

Anomalous Scattering

X-PLOR allows one to incorporate the effects of anomalous scattering
into the structure factor calculation. There are only two places
where input files have to be modified: including the imaginary
constant for specification of the appropriate atomic-form factor and
turning off the Hermitian symmetry operation.
The following example illustrates the inclusion
of anomalous scattering effects for FE atoms:

anomalous.inp

*Xplor-NIH 2023-11-10*