Hi, <br>I have built a model against a 3.7A data set by AutoBuild. The resulting model is overall_best.pdb. The data with the rfree test flags is exptl_fobs_phases_freeR_flags.mtz <br>Later on, I got a 3.4A data, which is isomorphous with the 3.7A data. Now I want to transfer the rfree flag from the 3.7A to 3.4A data for refinement. <br>
<br>I know one strategy if the data file is in CNS format. That is, use DATAMAN to transfer the flags and generate new test set flags in the high resolution range: 3.7-3.4A. However, when I convert the format by phenix.reflection_file_converter, it fails:<br>
phenix.reflection_file_converter exptl_fobs_phases_freeR_flags.mtz --cns=exptl_fobs_phases_freeR_flags.cv --label="PHIM" --label="FP,SIGFP" --label="FOMM" --label="FreeR_flag" --label="FC"<br>
<br>However, the resulting data does not have any FP, SIGFP, and FreeR flags. <br>{ file: exptl_fobs_phases_freeR_flags.cv.cns }<br>{ sg=C2 a=175.385 b=102.472 c=92.057 alpha=90 beta=111.312 gamma=90 }<br>{ source of data: exptl_fobs_phases_freeR_flags.mtz:FC }<br>
NREFlections=15307<br>ANOMalous=FALSe<br>DECLare NAME=DATA DOMAin=RECIprocal TYPE=REAL END<br>INDEx 0 0 5 DATA= 0<br>INDEx 0 0 7 DATA= 0<br>INDEx 0 0 8 DATA= 0<br>INDEx 0 0 9 DATA= 0<br>INDEx 0 0 10 DATA= 0<br>INDEx 0 0 11 DATA= 0<br>
INDEx 0 0 12 DATA= 0<br>INDEx 0 0 13 DATA= 0<br><br><br><br>I also tried mtz2various in CCP4i, the resulting hkl file does not have rfree flags at all. <br><br>Does anyone know who to convert the exptl_fobs_phases_freeR_flags.mtz into cns format or simple transfer the flags by phenix?<br>
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