function to get the index of dihedral atoms

[xibeisiber]

Thanks for your toolbox, useful for me.
Besides I wonder whether we can build a function to get the indexes of dihedral atoms from pdb files, being the input of function 'calcdihedral'.

[xibeisiber]

em,this seems easy to do,just find the index of "N","CA","C", and rearrange them

[ymatsunaga]

Yes, you right. Something like this:

[pdb, crd] = readpdb('file.pdb');

index_c = find(selectname(pdb.name, 'C'));
index_n = find(selectname(pdb.name, 'N'));
index_ca = find(selectname(pdb.name, 'CA'));

index_phi = [index_c(1:end-1) index_n(2:end) index_ca(2:end)
index_c(2:end)];
index_psi = [index_n(1:end-1) index_ca(1:end-1) index_c(1:end-1)
index_n(2:end)];

phi = calcdihedral(crd, index_phi)._180./pi;
psi = calcdihedral(crd, index_phi)._180./pi;

On Thu, Jul 24, 2014 at 1:02 PM, xibeisiber notifications@github.com
wrote:

em,this seems easy to do,just find the index of "N","CA","C", and
rearrange them

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