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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