[phenixbb] scattering factors
Andrew T. Torelli
att29 at cornell.edu
Fri Jun 17 09:14:04 PDT 2011
Is it possible yet to incorporate user-defined custom X-ray scattering factors?
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.
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> phenixbb at phenix-online.org
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