Ncs rotamer differences.py: Difference between revisions
Bernhardcl (talk | contribs) Created page with "def compare_ncs_rotamer(imol, chain_A, chain_B): n_residues = chain_n_residues(chain_A, imol) mismatched_rotamers = [] for serial_number in range(n_residues): ..." |
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<pre> | |||
def compare_ncs_rotamer(imol, chain_A, chain_B): | def compare_ncs_rotamer(imol, chain_A, chain_B): | ||
n_residues = chain_n_residues(chain_A, imol) | n_residues = chain_n_residues(chain_A, imol) | ||
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mismatched_rotamers), | mismatched_rotamers), | ||
" Close ") | " Close ") | ||
</pre> | |||
And you would use it something like this: | |||
<pre> | |||
imol = read_pdb("test.pdb") | |||
compare_ncs_rotamer(imol, "A", "B") | |||
</pre> | |||