I would like to extract x,y,z coordinates of any 3 atoms from a pdb file. How to rectify this error and make it generalized?

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Masha
Masha 2023-1-28
评论： Masha 2023-1-28
Ran in:
ubq=getpdb('1UBQ');
for n=[1,2,3]
Q(n)=[ubq.Model.Atom(n).X, ubq.Model.Atom(n).Y, ubq.Model.Atom(n).Z]
end
Unable to perform assignment because the indices on the left side are not compatible with the size of the right side.

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采纳的回答

Walter Roberson
Walter Roberson 2023-1-28
% N = range of indices for example
N=1:7;
Q = [ubq.Model.Atom(N).X; ubq.Model.Atom(N).Y; ubq.Model.Atom(n).Z].';
This assumes that each X Y Z are scalars.
This code process an array with 3 columns. If 3 rows are acceptable then leave out the .'

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