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features_combined.obj
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Combine(
Define(AllMutationData=Mapped(file=./a1q1.model_data.csv,key=MutationId,delimiter=",")),
Define(IsRealMutation=NotEqual(MaxIndex(NativeAADescriptor(AAType)),MaxIndex(MutantAADescriptor(AAType)))),
Define(Volume_AA=Subtract(lhs=MutantAADescriptor(AA_Volume),rhs=NativeAADescriptor(AA_Volume))),
Define(ChangeinPolarizability=Subtract(lhs=MutantAADescriptor(AA_Polarizability),rhs=NativeAADescriptor(AA_Polarizability))),
Define(changeinH_D=Subtract(lhs=MutantAADescriptor(AA_HDonors),rhs=NativeAADescriptor(AA_HDonors))),
Define(changeinH_A=Subtract(lhs=MutantAADescriptor(AA_HAcceptors),rhs=NativeAADescriptor(AA_HAcceptors))),
Define(mu_core1=Multiply(Greater(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(11.25)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-11.25))),rhs=Constant(1.5)),MutantAADescriptor(AA_FreeEnergyCore))),
Define(mu_trans1=Multiply(Add(Greater(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(23.75)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(11.25))),rhs=Constant(1.9)),Greater(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-11.25)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-23.75))),rhs=Constant(1.9))),MutantAADescriptor(AA_FreeEnergyTransition))),
Define(mu_sol1=Multiply(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-23.75)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(23.75))),MutantAADescriptor(AA_FreeEnergySolution))),
Define(Mutant_hydro=Add(mu_core1,mu_trans1,mu_sol1)),
Define(na_core1=Multiply(Greater(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(11.25)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-11.25))),rhs=Constant(1.5)),NativeAADescriptor(AA_FreeEnergyCore))),
Define(na_trans1=Multiply(Add(Greater(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(23.75)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(11.25))),rhs=Constant(1.9)),Greater(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-11.25)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-23.75))),rhs=Constant(1.9))),NativeAADescriptor(AA_FreeEnergyTransition))),
Define(na_sol1=Multiply(lhs=Add(Less(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(-23.75)),Greater(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(23.75))),NativeAADescriptor(AA_FreeEnergySolution))),
Define(Native_hydro=Add(na_core1,na_trans1,na_sol1)),
Define(transition_cos_pos=Multiply(Multiply(Add(Cos(Multiply(Constant(3.14),Subtract(lhs=Partial(NativeAADescriptor(Position),indices(2)),rhs=Constant(11.25)),Constant(0.08))),Constant(1)),Constant(0.5)),WithinRange(begin=11.25, descriptor=Partial(NativeAADescriptor(Position),indices(2)), end=23.75, inclusive=0))),
Define(transition_cos_neg=Multiply(Multiply(Add(Cos(Multiply(Constant(3.14),Subtract(lhs=Constant(-11.25),rhs=Partial(NativeAADescriptor(Position),indices(2))),Constant(-0.08))),Constant(1)),Constant(0.5)),WithinRange(begin=-23.75, descriptor=Partial(NativeAADescriptor(Position),indices(2)), end=-11.25, inclusive=0))),
Define(core_region=WithinRange(begin=-11.25, descriptor=Partial(NativeAADescriptor(Position),indices(2)), end=11.25, inclusive=0)),
Define(location_on_membrane=Add(core_region,transition_cos_neg,transition_cos_pos)),
#NativeAADescriptor(AA_StericalParameter),
#MutantAADescriptor(AA_StericalParameter),
#NativeAADescriptor(SASANeighborVector),
Mutant_hydro,
MutantAADescriptor(AA_Polarizability),
ForEach(template=MutantPropertyDensity(weight=0,std=0,transition=0.5,cutoff=CUT,default(0.167),pseudocount=1,descriptor=NativeAADescriptor(AA_Polarizability)),variable=CUT,values(6.5,12)),
ForEach(template=MutantPropertyDensity(weight=0,std=0,transition=0.5,cutoff=CUT,default(-0.0346894),pseudocount=1,descriptor=Native_hydro),variable=CUT,values(1,6.5)),
Sqrt(Add(Multiply(Partial(NativeAADescriptor(Position),indices(0)),Partial(NativeAADescriptor(Position),indices(0))),Multiply(Partial(NativeAADescriptor(Position),indices(1)),Partial(NativeAADescriptor(Position),indices(1))))),
location_on_membrane,
changeinH_A,
changeinH_D,
Volume_AA,
Template(
signature=BlastInfo(X),
Combine(
Subtract(
lhs=DescriptorSum(Multiply(NativeAADescriptor(AABlastProfile(extension=X)),NativeAADescriptor(AAType))),
rhs=DescriptorSum(Multiply(NativeAADescriptor(AABlastProfile(extension=X)),MutantAADescriptor(AAType)))
)
)
),
# Define(AllBlastInfo=ForEach(template=BlastInfo(X),variable=X,values(.nr.ascii4,.uniref50.0.00001.ascii4))),
Define(AllBlastInfo=ForEach(template=BlastInfo(X),variable=X,values(.nr.ascii4))),
AllBlastInfo
)