# solve.com -- take 2 mir datasets that may or may not # be exactly isomorphous, combine them into one pseudo-mir dataset # and solve it # CCP4_OPEN environmental variable set to UNKNOWN so file overwriting will work setenv CCP4_OPEN UNKNOWN solve <<*** @solve.setup ! get our standard information read in logfile solve.logfile ! write out most information to this file. readformatted ! alternatives are readdenzo, readtrek premerged ! alternative is unmerged read_intensities ! alternative is read_amplitudes ! !---------first MIR dataset (hg, i atoms)--------- rawnativefile native_1.intensities derivative 1 label set 1 with 1 hg atoms, derivative 1 rawderivfile der1_hg.intensities ATOMNAME hg derivative 2 label deriv 2 set 1, Iodine rawderivfile der2_i.intensities ATOMNAME I ! scale_native scale_mir analyze_mir !------------------------end of first dataset ------------- new_dataset ! tell solve we're about to start a new one !----------------second MAD dataset (Pt atoms) ---------- rawnativefile native_2.intensities derivative 1 label set 2 with 1 hg atoms, derivative 1 rawderivfile der1_pt.intensities ATOMNAME pt ! scale_native scale_mir analyze_mir ! combine the datasets into one now... combine ! solve it... solve !--------all done---------- ***