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Hi Intekhab,<br>
<br>
thanks for sending the files.<br>
<br>
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<br>
<br>
main {<br>
fix_rotamers = True<br>
simulated_annealing_torsion = True<br>
number_of_macro_cycles = 5<br>
max_number_of_resolution_bins = 10<br>
use_experimental_phases = False<br>
}<br>
.<br>
<br>
Try this instead:<br>
<br>
main {<br>
number_of_macro_cycles = 5<br>
ordered_solvent=true<br>
}<br>
ordered_solvent {<br>
mode = *every_macro_cycle<br>
}<br>
<br>
Does phenix.model_vs_data confirms the need to use twin-target:<br>
<br>
phenix.model_vs_data model.pdb data.mtz<br>
<br>
?<br>
<br>
Pavel.<br>
<br>
<br>
On 8/19/10 12:05 AM, intekhab alam wrote:
<blockquote
cite="mid:AANLkTimSrshsoEvKL6j5-D1MVCU0GZ=GJNZogdZAxc_W@mail.gmail.com"
type="cite">
<div>Hi </div>
<div>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.</div>
<div> 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.</div>
<div>Kindly help me out.</div>
<div> </div>
<div>Regards<br clear="all">
<br>
-- <br>
INTEKHAB ALAM<br>
LABORATORY OF STRUCTURAL BIOINFORMATICS<br>
KOREA UNIVERSITY, SEOUL<br>
</div>
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