[BioPython] Bio.PDB phi/psi angles
Douglas Kojetin
douglas.kojetin at gmail.com
Sat Jul 14 17:03:21 UTC 2007
Hi All,
I would like to print the phi/psi angles for a structure using the
script found here:
http://www2.warwick.ac.uk/fac/sci/moac/currentstudents/peter_cock/
python/ramachandran/calculate/
but the script chokes on the following line:
phi_psi = poly.get_phi_psi_list()
error output:
Traceback (most recent call last):
File "./ramachandran_biopython.py", line 62, in <module>
phi_psi = poly.get_phi_psi_list()
File "/sw/lib/python2.5/site-packages/Bio/PDB/Polypeptide.py",
line 169, in get_phi_psi_list
res.xtra["PHI"]=phi
NameError: global name 'res' is not defined
Does anyone know what I can do to overcome this problem?
Thanks,
Doug
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