How to query for all the nitrogen coordinates in pdb file?

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DEVANAND
DEVANAND 2014 年 10 月 7 日
編集済み: DEVANAND 2014 年 10 月 7 日
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I was trying to extract Nitrogen coordinates from ubiquitin protein. I have the 1UBQ.pdb file from http://rcsb.org/pdb/home/home.do website. I have done the following.
pdb1 ='/home/devanandt/Documents/VMD/1UBQ.pdb';
x=pdbread(pdb1)
y=x.Model.Atom
'y' variable gives 1x602 struct array with many fields including the co-ordinates X,Y,Z. There are 76 residues in this protein and so 76 nitrogens. How to extract (X,Y,Z) data separately to an array?

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DEVANAND
DEVANAND 2014 年 10 月 7 日
編集済み: DEVANAND 2014 年 10 月 7 日
pdb1 ='/home/devanandt/Documents/VMD/1UBQ.pdb';
x=pdbread(pdb1);
atom={x.Model.Atom.AtomName};
n_i=find(strcmp(atom,'N')); % Find indices of atoms
X = [x.Model.Atom.X];
Y = [x.Model.Atom.Y];
Z = [x.Model.Atom.Z];
X_n = X(n_i); % X Y Z coordinates of N atoms
Y_n = Y(n_i);
Z_n = Z(n_i);

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