Opened 9 years ago
Closed 9 years ago
#584 closed defect (fixed)
Opening 1gbp gives error setting entity descriptions
Reported by: | Tom Goddard | Owned by: | Greg Couch |
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Priority: | major | Milestone: | |
Component: | Input/Output | Version: | |
Keywords: | Cc: | pett@… | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
open 1gbp
Traceback (most recent call last):
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/cmd_line/tool.py", line 158, in execute
cmd.run(cmd_text)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/commands/cli.py", line 2327, in run
result = ci.function(session, kw_args)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/commands/open.py", line 81, in open
format=format, name=name, ignore_cache=ignore_cache, kw)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/fetch.py", line 402, in fetch_from_database
models, status = df.fetch(session, id, format=format, ignore_cache=ignore_cache, kw)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/fetch.py", line 449, in fetch
return fetch(session, database_id, ignore_cache=ignore_cache, kw)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/mmcif.py", line 102, in fetch_mmcif
models, status = io.open_data(session, filename, format='mmcif', name=pdb_id, kw)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/io.py", line 330, in open_data
models, status = open_func(session, stream, dname, kw)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/mmcif.py", line 50, in open_mmcif
models = [AtomicStructure(session, name = name, c_pointer = p, auto_style = smid) for p in pointers]
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/mmcif.py", line 50, in <listcomp>
models = [AtomicStructure(session, name = name, c_pointer = p, auto_style = smid) for p in pointers]
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/structure.py", line 1824, in init
self._set_chain_descriptions(self.session)
File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/structure.py", line 1885, in _set_chain_descriptions
entity_to_description[mmcif_chain_to_entity[mmcif_cid]], False)
KeyError: 'A'
Change History (3)
comment:1 by , 9 years ago
comment:2 by , 9 years ago
Cc: | added; removed |
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Owner: | changed from | to
The chain_entity_map generated by the mmCIF reader is wrong (maps 'A' to 'A'; should map 'A' to '1', as per the _struct_asym table).
comment:3 by , 9 years ago
Resolution: | → fixed |
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Status: | assigned → closed |
Tweak code that handles missing entity_poly_seq to work when atom_site.label_entity_id is given.
FYI, 1gbp is obsolete; superseded by 3gbp