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Hi, everyone
I have a crytal solved by molecular replacement and performed density
modification with CNS 1.1 and a new hkl file is created. Now I would
like to convert this new hkl file to mtz file to perform model
building by automatic program like arp/warp or resolve...
However I have no idea how to convert them and transfer all column
information into mtz. Could anyone give me suggestions?
my hkl file looks like this:
NREFlection= 35582
ANOMalous=FALSe { equiv. to HERMitian=TRUE}
DECLare NAME=FULL_MOD DOMAin=RECIprocal TYPE=COMP END
DECLare NAME=FOM_MOD DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=HLAM DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=HLBM DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=HLCM DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=HLDM DOMAin=RECIprocal TYPE=REAL END
GROUp TYPE=HL
OBJEct=HLAM
OBJEct=HLBM
OBJEct=HLCM
OBJEct=HLDM
END
INDE 6 0 0 FULL_MOD= 59.092 266.854 FOM_MOD= 0.913
HLAM= -0.332 HLBM= -6.034 HLCM= 0.000
HLDM= 0.000
INDE 9 0 0 FULL_MOD= 67.240 267.679 FOM_MOD= 0.936
HLAM= -0.326 HLBM= -8.038 HLCM= 0.000
HLDM= 0.000
INDE 12 0 0 FULL_MOD= 153.690 4.798 FOM_MOD= 0.991
HLAM= 54.169 HLBM= 4.547 HLCM= 0.000
HLDM= 0.000
INDE 15 0 0 FULL_MOD= 170.460 167.125 FOM_MOD= 0.991
HLAM= -54.749 HLBM= 12.514 HLCM= 0.000
HLDM= 0.000
INDE 18 0 0 FULL_MOD= 28.990 288.227 FOM_MOD= 0.937
HLAM= 2.578 HLBM= -7.828 HLCM= 0.000
HLDM= 0.000
INDE 21 0 0 FULL_MOD= 68.170 206.718 FOM_MOD= 0.993
HLAM= -62.079 HLBM= -31.247 HLCM= 0.000
HLDM= 0.000
.......
any recommendation will be very appreciated
josh
