Comments (2)
em,this seems easy to do,just find the index of "N","CA","C", and rearrange them
from mdtoolbox_doc.
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 [email protected]
wrote:
em,this seems easy to do,just find the index of "N","CA","C", and
rearrange them—
Reply to this email directly or view it on GitHub
#1 (comment)
.
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