------------------------------------------------------------------------ #!/bin/csh # setenv CCP4_OPEN UNKNOWN setenv SOLVETMPDIR /var/tmp setenv SYMOP /home/muser/watanabe/resolve/lib/resolve/symop.lib # solve <<EOD > solve-sad.log ! command file to read in raw data of formented mtz,scale analyze and solve it title ph0054_Se BL40 MAD data for 3-wavelengths @solve.setup logfile solve_SAD.log LABIN FPH1=Fpeak SIGFPH1=SIGFpeak DPH1=DANOpeak LABIN SIGDPH1=SIGDANOpeak HKLIN ../CCP4/phoACCD_MAD_scaleit1.mtz mad_atom Se lambda 1 nres 990 [approx # of residues in protein molecule] nanomalous 12 [approx # of anomalously scattering atoms per protein] SAD ! Solve the structure EOD ------------------------------------------------------------------------
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