[phenixbb] scattering factors
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Tue Jul 20 12:17:50 PDT 2010
> I have a file containing electron scattering factors for 300kV
> EM that has been used successfully for refinement with CNS before
> for electron diffraction data. How can I tell Phenix to use electron
> scattering factors during refinement? I think currently Phenix has 4
> choices for X-ray and neutron scattering factors but not for electron
> scattering. Is there a good way to implement electron scattering
> factors into phenix library?
No, sorry. The underlying libraries support custom coefficients for
the scattering factors (must be a Gaussian approximation), but there
is no practical way for users to define them.
I'll make this a priority for the next official phenix release.
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