info := normal name := at1g16640 tf_type := 2 cut_tf := 1000.0 seed := 35621 tolerance := 0.03, 0.03, 0.4 cyanalib #dyanalib read seq ./at1g16640.seq peakcheck peaks=c13no,n15no,c13ar prot=at1g16640 read prot ./at1g16640.prot #atom stereo "HD2 68" #atom stereo list read peaks ./c13no.peaks assigned integrated peaks set volume=abs(volume) #atom shift adapt atom shift check #caliba caliba bb=4.0E+06 dmax=5.5 write upl c13no_cal.upl distance delete read peaks ./n15no.peaks assigned integrated peaks set volume=abs(volume) #atom shift adapt atom shift check #caliba caliba bb=7.0E+06 dmax=5.5 write upl n15no_cal.upl distance delete atom shift check read peaks ./c13ar.peaks assigned integrated peaks set volume=abs(volume) #caliba caliba bb=5.0E+06 dmax=5.5 write upl c13ar_cal.upl distance delete read upl c13no_cal.upl read upl n15no_cal.upl append read upl c13ar_cal.upl append distance modify distance check #ssbond 50-53 #write lol at1g16640.lol write upl at1g16640.upl #read upl cycle7.upl read aco at1g16640.aco #distance select all distance stat #nproc=4 calc_all 100 command=anneal steps=10000 overview structures=20 range=8..97 cor pdb full vdw ramachandran file=rama.ps nobackground label