======================= peaks2sparky.awk ======================= #!/usr/bin/gawk -f # # peaks2sparky name1.seq name2.prot name3.peaks # #@ create sparky readable peaklists (.list) #@ example: peaks2sparky.awk protein.seq protein.prot c13-cycle7.peaks # # conversions: # methyl QB - MB # # command-line options # translate=sparky|no|"" # sparky : convert xeasy->sparky nomenclature # no : no conversion at all nomenclature # "" : just conversion of aromatic C[DE]1 -> CQ[DE] # # flipch2s : if you insist on flipping the methylene proton names. # # shortform=1 : print V100HN-CA-N instead if V100HN-V100CA-V100N # # it is better to do nomenclature changes using the translate.cya macro. #