[phenixbb] Error when specifying anomalous scatterers in autosol.

Francis E Reyes Francis.Reyes at Colorado.EDU
Fri Jun 27 11:20:07 PDT 2008

Starting AutoSol with the command:

phenix.autosol data=ScalAveragedSG_76_30.ref  
seq_file=seq_from_pdb.dat   \
refine_eff_file_list=./refinement/non_default.eff sites=2  
atom_type=I   \
f_prime=-0.582314 f_double_prime=6.84299 res_phase=3.4  
resolution_build=3.0   \
resolution=3.0 wavelength=1.5418 ha_sites_file=./ha_sites.pdb

Sending output to  AutoSol_run_7_/AutoSol_run_7_1.log

Failed to carry out AutoSol_build:

Refinement failed...perhaps something wrong with input refinement file
or data file or the column labels for them?
Error message from phenix.refine:
Empty atom selection:
   refinement.refine.anomalous_scatterers.group.selection="name I"

Cuts out in the first round of refinement (after initial Build_1.pdb) .

I guess I should not have specified anomalous scatterers (at least to  

Does it refine anomalous automagically in the autobuild when doing a  
SAD via autosol?

How do I recover from this error?  (continue with the autobuild  
without anomalous scattering it now seems).


Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

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