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
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 Eric Pettersen, 9 years ago

FYI, 1gbp is obsolete; superseded by 3gbp

comment:2 by Eric Pettersen, 9 years ago

Cc: pett@… added; gregc@… removed
Owner: changed from Eric Pettersen to Greg Couch

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 Greg Couch, 9 years ago

Resolution: fixed
Status: assignedclosed

Tweak code that handles missing entity_poly_seq to work when atom_site.label_entity_id is given.

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