info := normal name := at3g01050 tf_type := 2 cut_tf := 1000.0 seed := 35621 tolerance := 0.03, 0.03, 0.4 cyanalib #dyanalib read seq ./at3g01050.seq peakcheck peaks=c13no_22,n15no_22,c13no_ar_20 prot=at3g01050_final read prot ./at3g01050_final.prot read peaks ./c13no_22.peaks assigned integrated peaks set volume=abs(volume) #atom shift adapt atom shift check #peak abs #caliba caliba bb=3.0E+06 dmax=5.5 write upl c13no_cal.upl distance delete read peaks ./n15no_22.peaks assigned integrated peaks set volume=abs(volume) #atom shift adapt atom shift check #peak abs #caliba caliba bb=6.0E+06 dmax=5.5 write upl n15no_cal.upl distance delete atom shift check read peaks ./c13no_ar_20.peaks assigned integrated peaks set volume=abs(volume) #peak abs #caliba caliba bb=3.0E+06 dmax=6.0 write upl c13no_ar_cal.upl distance delete read upl c13no_cal.upl read upl n15no_cal.upl append read upl c13no_ar_cal.upl append distance modify write upl at3g01050.upl #read upl cycle7.upl read aco at3g01050.aco #distance select all distance stat #dcostat 01050_dco #seqplot 01050_seq nproc=4 calc_all 100 command=anneal steps=10000 overview structures=20 range=10..108 cor full