Hi Omar,

electron scattering table is fully supported. In phenix.maps it is

scattering_table = wk1995 it1992 *n_gaussian neutron electron

But if you just want to compute a Fourier map from a PDB file then this is more straightforward:

phenix.fmodel model.pdb high_res=2.3 scattering_table=electron

You need to have a reasonably recent version of Phenix for this.

Pavel


On 2/10/15 1:57 PM, Omar Davulcu wrote:

Hi, everyone.

 

Probably a silly question, but here goes…

 

I’m trying to calculate a simulated map around a set of coordinates using the electron scattering table.  Phenix.maps doesn’t appear to allow selection of that particular scattering table.

 

I noticed that phenix.refine allows me to select that table and I thought I would set the number of macro cycles to 0 and turn off all the refinement options and produce a map that way.  I thought I would generate the structure factors needed as input with phenix.fmodel, but that also doesn’t allow selection of the electron scattering table.

 

So, my (naïve) question is: what am I doing wrong?  Is there a way I can calculate this map in phenix?  Any help would be greatly appreciated.

 

Thanks much!

Omar Davulcu

 

 



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