Hi Ralf, Is it possible yet to incorporate user-defined custom X-ray scattering factors? Thanks, -Andy On Tue, 20 Jul 2010, Ralf W. Grosse-Kunstleve wrote:
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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb