jakesylvestre / cing

Automatically exported from code.google.com/p/cing
0 stars 0 forks source link

CING fails to read chain with id of a space character failed by a chain with a 'A' as the id. #223

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
Proprietary file from Wim.

What is the expected output? What do you see instead?
jd:stella/cingTmp/ cing --initCcpn logH_test.tgz -n logH_test --ipython
================================================================================
======================
| CING: Common Interface for NMR structure Generation version 0.9 (r710)        
AW,JFD,GWV 2004-2009 |
================================================================================
======================
User: jd              on: stella.cmbi.umcn.nl (darwin/32bit)            at: Mon 
Feb  8 10:03:21 2010
==> Importing data from Ccpn project "logH_test"
Changed chain id from CCPN [ ] to CING [A]
WARNING: Skipping coordinate for CING failed to find coordinate for model 1 for 
atom <Atom GLU1.C>
WARNING: Skipping coordinate for CING failed to find coordinate for model 2 for 
atom <Atom GLU1.C>
...
WARNING: Skipping coordinate for CING failed to find coordinate for model 10 
for atom <Atom GLU1.OE2>
WARNING: Molecule.addChain: chain "A" already present
CING started at : Mon Feb  8 10:03:17 2010
CING stopped at : Mon Feb  8 10:03:31 2010
CING took       : 14.153 s

Traceback (most recent call last):
  File "/Users/jd/workspace35/cing/python/cing/main.py", line 793, in <module>
    main()
  File "/Users/jd/workspace35/cing/python/cing/main.py", line 647, in main
    project.initCcpn(ccpnFolder=options.initCcpn)
  File "/Users/jd/workspace35/cing/python/cing/PluginCode/Ccpn.py", line 2272, in initCcpn
    if not ccpn.importFromCcpn(modelCount = modelCount):
  File "/Users/jd/workspace35/cing/python/cing/PluginCode/Ccpn.py", line 331, in importFromCcpn
    if not self.importFromCcpnMolecule(modelCount = modelCount):
  File "/Users/jd/workspace35/cing/python/cing/PluginCode/Ccpn.py", line 447, in importFromCcpnMolecule
    if not self._match2Cing(modelCount = modelCount):
  File "/Users/jd/workspace35/cing/python/cing/PluginCode/Ccpn.py", line 571, in _match2Cing
    chain.ccpn = ccpnChain
AttributeError: 'NoneType' object has no attribute 'ccpn'

Workaround solution: rename either chain. 

In CING chain ids can't be a space character because it would require extra 
code to work with many external programs.
The messages are reasonably clear if you can find them:
Changed chain id from CCPN [ ] to CING [A]
WARNING: Molecule.addChain: chain "A" already present

Original issue reported on code.google.com by jurge...@gmail.com on 8 Feb 2010 at 9:13

GoogleCodeExporter commented 9 years ago
Issue 244 has been merged into this issue.

Original comment by jurge...@gmail.com on 12 May 2010 at 11:46