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Xdsconv: Difference between revisions
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INCLUDE_RESOLUTION_RANGE=50 1 ! optional | INCLUDE_RESOLUTION_RANGE=50 1 ! optional | ||
OUTPUT_FILE=temp.hkl CCP4 FRIEDEL'S_LAW=FALSE | OUTPUT_FILE=temp.hkl CCP4 FRIEDEL'S_LAW=FALSE | ||
This produces the file temp.hkl which is then converted to a MTZ file XDS_ASCII.mtz with | |||
f2mtz HKLOUT temp.mtz<F2MTZ.INP | f2mtz HKLOUT temp.mtz<F2MTZ.INP | ||
cad HKLIN1 temp.mtz HKLOUT | cad HKLIN1 temp.mtz HKLOUT XDS_ASCII.mtz<<EOF | ||
LABIN FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO | LABIN FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO | ||
LABOUT FILE 1 E1=FP E2=SIGFP E3= | LABOUT FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO | ||
END | END | ||
EOF | EOF | ||
''More to come'' | ''More to come'' | ||