[phenixbb] stuck with phenix refine

[intekhab alam]

I tried with the steps suggested by Pavel and it seems working, !!
Thank You guys for your interest!!

Regards
Intekhab Alam

On Fri, Aug 20, 2010 at 1:18 AM, Pavel Afonine <pafonine at lbl.gov> wrote:

> 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
>
>
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-- 
INTEKHAB ALAM
LABORATORY OF STRUCTURAL BIOINFORMATICS
KOREA UNIVERSITY, SEOUL
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