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python-biopython  1.60
Namespaces | Variables
simplepredict.py File Reference

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Namespaces

namespace  simplepredict

Variables

int simplepredict.inc = 1
string simplepredict.infn = "./noed.xpk"
string simplepredict.outfn = "./out_example.xpk"
string simplepredict.detectatom = "H1"
string simplepredict.relayatom = "N15"
string simplepredict.fromatom = "15N2"
tuple simplepredict.peaklist = xpktools.Peaklist(infn)
tuple simplepredict.dict = peaklist.residue_dict(detectatom)
list simplepredict.MAXRES = dict["maxres"]
list simplepredict.MINRES = dict["minres"]
int simplepredict.count = 0
 simplepredict.res = MINRES
list simplepredict.outlist = []
tuple simplepredict.noe1 = NOEtools.predictNOE(peaklist,"15N2","H1",res,res+inc)
tuple simplepredict.noe2 = NOEtools.predictNOE(peaklist,"15N2","H1",res,res-inc)
tuple simplepredict.entry1 = xpktools.XpkEntry(noe1,peaklist.datalabels)
tuple simplepredict.outfile = open(outfn,'a')