======================= mergeshift.awk ======================= #!/usr/bin/gawk -f # # mergeshift.awk collect shifts from various shift lists # keeps latest entry, so give your most # accurate shifts last # # NB still expects old type shift list format with mid,wid/2 # instead of lo,hi,spread # see also : ass2shift.awk # # ?? select residue format for reading chemical shifts (shift header?) # ?? grepping line with eg:10 ala hh21 # # ?? make sure to include h2o { # # -v add_err=0.05 add shift-error of 0.05 to shifts of file n # -v def_err=0.05 default shift-error of 0.05 for shifts of file n # -v min_err=0.05 minimal shift-error of 0.05 for shifts of file n # input format : # 34 val ha 5.445 0.013 ## -> read ppm value + error # deleteshift 34 val ha ## -0> delete ppmvalue from the list