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:


Xplor-NIH 2023-11-10