from phaser import *
i = InputMR_DAT()
HKLIN = "beta_blip.mtz"
F = "Fobs"
SIGF = "Sigma"
i.setHKLI(HKLIN)
i.setLABI(F,SIGF)
r = runMR_DAT(i)
i = InputCCA()
i.setSPAC_HALL(r.getSpaceGroupHall())
i.setCELL6(r.getUnitCell())
i.addCOMP_PROT_MW_NUM(28853,1)
i.addCOMP_PROT_MW_NUM(17522,1)
del(r)
r = runCCA(i)
print r.summary()
print "Cell Content Analysis"
print "Molecular weight of assembly = " , r.getAssemblyMW()
print "Best Z value = " , r.getBestZ()
print "Best VM value = " , r.getBestVM()
print "Probability of Best VM = " , r.getBestProb()