Index in position 1 is invalid. Array indices must be positive integers or logical values?
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In the following code I encounter the problem in the last line. How to rectify this? The integer value is positive , i.e., i=1:3, but I am getting this error.
uxc = getpdb('1UXC');
isTYR = ({uxc.Model.Atom.resName} == "TYR")
uxcTYR = uxc.Model.Atom(isTYR) % Extracts particulars of only TYR
TyrXYZ = [uxcTYR.X; uxcTYR.Y; uxcTYR.Z]' ; %Coordinates of all Tyrosine residues
Tyrcd = {};
Tyrseq = {};
Tyrmass = {};
sizeTyr = size(TyrXYZ);
numTyr = sizeTyr(1) / 21 ;
for i = 1:numTyr
Tyrcd{i} = TyrXYZ((21*i-20):(21*i),:);
Tseq = [uxcTYR.element]' ;
Tyrseq{i} = Tseq((21*i-20):(21*i),:)
end
%COM
Amac_mass = ["A", 71.0788;"R", 156.1875;"N", 114.1038;"D", 115.0886;"C", 103.1388;"E", 129.1155;"Q", 128.1307;"G", 57.0519;"H", 137.1411;"I", 113.1594;"L", 113.1594;"K", 128.1741;"M", 131.1926;"F", 147.1766;"P", 97.1167;"S", 87.0782;"T", 101.1051;"W", 186.2132;"Y", 163.1760;"V", 99.1326];
Tyrmass = {};
for i = 1:numTyr
[ism2,idx2] = ismember(Tyrseq{i},Amac_mass(:,1));
Tyrmass{i} = [Amac_mass(idx2,:)];
end
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Antworten (2)
Walter Roberson
am 24 Feb. 2023
ismember returns 0 for indices in the case that the value was not found.
Note that the entries in Tyrseq have not had trailing blanks removed.
Steven Lord
am 24 Feb. 2023
If you just want to be able to determine the mass for a specified identifier, I wouldn't use ismember in this case. I'd use a dictionary object. I'm going to start off with a cell array because I don't feel like editing the code further to split this into separate string and numeric arrays.
idAndMass = {"A", 71.0788;"R", 156.1875;"N", 114.1038;"D", 115.0886;"C", 103.1388;...
"E", 129.1155;"Q", 128.1307;"G", 57.0519;"H", 137.1411;"I", 113.1594;...
"L", 113.1594;"K", 128.1741;"M", 131.1926;"F", 147.1766;"P", 97.1167;...
"S", 87.0782;"T", 101.1051;"W", 186.2132;"Y", 163.1760;"V", 99.1326};
D = dictionary([idAndMass{:, 1}], [idAndMass{:, 2}])
Now to use it I can query the dictionary:
values = D(["M", "A", "T"])
though I'd check if the identifier I'm searching for isKey of the dictionary first, to guard against your sequence having an identifier for which you haven't specified a mass (like "B" in the example below.)
isInDictionary = isKey(D, ["M", "A", "T", "L", "A", "B"])
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