#!/bin/csh -f # Copy Raxis standard output from YORTIC to your area on unix. # Beware - Raxis does NOT output a SIG_ANO_DIF so if you want # to use the ANO_DIFs # You need to add a SIG_ANO_DIFF column to your file BEFORE # running f2mtz. jiffy called RAXIS_FUDGE does this.. # # To change RAXIS data to mtz - run f2mtz first # f2mtz #!/bin/csh -f # # f2mtz \ # HKLIN /y/people/brady/cd34/cd34nat_2.hkl \ # HKLOUT $SCRATCH/junk.mtz \ # << 'END-mtzrwrot' # TITLE tested RAXIS output - ascii to MTZ # CELL 77.583 77.583 82.565 90 90 120 # LABOUT H K L Fraxis SIGFraxis Draxis # CTYPOUT H H H F Q D # SYMM 154 # SKIP 0 # END # 'END-mtzrwrot' #exit # If you have anom data -output Draxis will have the same sigma as Fraxis... cad \ HKLIN1 $SCRATCH/junk.mtz \ HKLOUT $SCRATCH/junk2.mtz \ << 'END-cadlcf' RESO OVERALL 1000000 1 MONI FULL TITL short REFMONI 1000 LABI FILE 1 E1=Fraxis E2=SIGFraxis E3=Draxis E4=SIGFraxis CTYP FILE 1 E1=F E2=Q E3=D E4=Q LABO FILE 1 E4=SIGDraxis END 'END-cadlcf' # If you have no anom data... # If you have no anom data... cad \ HKLIN1 $SCRATCH/junk.mtz \ HKLOUT $SCRATCH/junk2.mtz \ << 'END-cadlcf' RESO OVERALL 1000000 1 MONI FULL TITL short REFMONI 1000 LABI FILE 1 E1=Fraxis E2=SIGFraxis CTYP FILE 1 E1=F E2=Q END 'END-cadlcf' exit exit