Re: [phenixbb] scattering factors

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. Ralf