28
edits
Ncs rotamer differences.py: Difference between revisions
no edit summary
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): ...") |
Bernhardcl (talk | contribs) No edit summary |
||
| Line 1: | Line 1: | ||
<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) | ||
| Line 38: | Line 39: | ||
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> | |||