[phenixbb] stuck with phenix refine

[Pavel Afonine]

  Hi Intekhab,

thanks for sending the files.

Your log file shows you are refining at 2.7A resolution and the 
R-factors are 24/26% (which is not bad!), and the parameters you use are

   main {
     fix_rotamers = True
     simulated_annealing_torsion = True
     number_of_macro_cycles = 5
     max_number_of_resolution_bins = 10
     use_experimental_phases = False
   }
.

Try this instead:

   main {
     number_of_macro_cycles = 5
     ordered_solvent=true
   }
  ordered_solvent {
     mode = *every_macro_cycle
   }

Does phenix.model_vs_data confirms the need to use twin-target:

phenix.model_vs_data model.pdb data.mtz

?

Pavel.


On 8/19/10 12:05 AM, intekhab alam wrote:
> Hi
> I am working with a twinned data set having R32 space group. when i 
> tried to refine with phenix refine using the twin option it got stuck 
> after some time.
>  There is no error message showing up and the refinemnet donot 
> progresses further. I have used the twin law  suggested by Xtriage 
> program in Phenix.
> Kindly help me out.
> Regards
>
> -- 
> INTEKHAB ALAM
> LABORATORY OF STRUCTURAL BIOINFORMATICS
> KOREA UNIVERSITY, SEOUL
>
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
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