-
Notifications
You must be signed in to change notification settings - Fork 172
Open
Description
Description of the bug.
The PDB entry 7Oo7 cannot be parsed because an exception is raised.
Do you have any error messages or logs?
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/home/entropia/dev/ProDy/prody/proteins/ciffile.py", line 133, in parseMMCIF
result = parseMMCIFStream(cif, chain=chain, segment=segment, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/entropia/dev/ProDy/prody/proteins/ciffile.py", line 238, in parseMMCIFStream
hd = getCIFHeaderDict(lines)
^^^^^^^^^^^^^^^^^^^^^^^
File "/home/entropia/dev/ProDy/prody/proteins/cifheader.py", line 172, in getCIFHeaderDict
value = func(lines)
^^^^^^^^^^^
File "/home/entropia/dev/ProDy/prody/proteins/cifheader.py", line 1331, in _getUnobservedSeq
unobs_seqs[chid] += AAMAP[item['_pdbx_unobs_or_zero_occ_residues.auth_comp_id']]
~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
KeyError: 'ACE'
What is your setup?
Linux Debian 13, micromamba, Python 3.12.11, numpy 2.0.2
How did you install ProDy?
GitHub commit 068d26543
What did your code look like?
import prody
prody.parseMMCIF("7O07")
Copilot
Metadata
Metadata
Assignees
Labels
No labels