KeyError saving mmCIF

[lpravda@…]

The following bug report has been submitted:
Platform:        Darwin-17.7.0-x86_64-i386-64bit
ChimeraX Version: 0.8 (2018-11-19)
Description
Opening this file and then immediately saving it yields this traceback.

Log:
UCSF ChimeraX version: 0.8 (2018-11-19)  
How to cite UCSF ChimeraX  

> open "/Users/pett/Library/Containers/com.apple.mail/Data/Library/Mail
Downloads/9569D88D-D4CD-4792-BDB9-D659815DA19E/full.cif"

Summary of feedback from opening
/Users/pett/Library/Containers/com.apple.mail/Data/Library/Mail
Downloads/9569D88D-D4CD-4792-BDB9-D659815DA19E/full.cif  
---  
warnings | Missing entity_poly_seq table. Inferring polymer connectivity.  
for chain A is incomplete. Ignoring input sequence records as basis for
sequence.  
for chain A is incomplete. Ignoring input sequence records as basis for
sequence.  
for chain A is incomplete. Ignoring input sequence records as basis for
sequence.  
for chain A is incomplete. Ignoring input sequence records as basis for
sequence.  
for chain A is incomplete. Ignoring input sequence records as basis for
sequence.  
14 messages similar to the above omitted  
  
Chain information for full.cif #1.20  
---  
Chain | Description  
1.1/A | C-terminal analogue of neuropeptide Y, A potent Y2 receptor agonist  
1.2/A 1.3/A 1.4/A 1.5/A 1.6/A 1.7/A 1.8/A 1.9/A 1.10/A 1.11/A 1.12/A 1.13/A
1.14/A 1.15/A 1.16/A 1.17/A 1.18/A 1.19/A 1.20/A | C-terminal analogue of
neuropeptide Y, A potent Y2 receptor agonist  
  

> save ~/rm/out.mmcif

Traceback (most recent call last):  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/cmd_line/tool.py", line 225, in execute  
cmd.run(cmd_text)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/core/commands/cli.py", line 2581, in run  
result = ci.function(session, **kw_args)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/core/commands/save.py", line 61, in save  
fmt.export(session, filename, fmt.nicknames[0], **kw)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/core/io.py", line 198, in export  
result = self.export_func(session, path, **kw)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/mmcif/__init__.py", line 58, in save_file  
return mmcif_write.write_mmcif(session, path, models=models)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/mmcif/mmcif_write.py", line 108, in write_mmcif  
save_structure(session, f, models, used_data_names)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/mmcif/mmcif_write.py", line 508, in save_structure  
asym_id, entity_id = asym_info[(chain_id, chars)]  
KeyError: ('A', 'XRHYKNLIERQRYX')  
  




OpenGL version: 4.1 NVIDIA-10.32.0 355.11.10.10.40.102
OpenGL renderer: NVIDIA GeForce GTX 675MX OpenGL Engine
OpenGL vendor: NVIDIA Corporation
File attachment: full.cif

full.cif​

[lpravda@…]

Added by email2trac

[Greg Couch]

Duplicate of #1548