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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