mailRe: Error message upon PDB loading


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Posted by Edward d'Auvergne on March 18, 2014 - 10:24:
Hi Stefano,

It's no problem at all.  For bugs, it is best to create a bug report
using the link http://gna.org/bugs/?func=additem&group=relax.  With a
bug report, all the files required to reproduce the bug can be
attached (ideally truncated to 1-2 spins).  If I can reproduce the bug
with truncated data, in most cases I can then create a system test and
have a fix within about 5 to 10 minutes.

In this case here, it looks like an improperly defined sheet secondary
structure element in the PDB.  The error is the IndexError, all text
after that can be ignored.  With the bug report and attached PDB file,
I can have a look and see if I can make the relax PDB reader more fail
safe.  This is a constant battle due to the huge number of programs
which create corrupted PDB files!  It's really not hard to follow the
PDB standard, but there are just too many lazy developers out there.

Regards,

Edward



On 18 March 2014 10:13, Stefano Luciano Ciurli <stefano.ciurli@xxxxxxxx> 
wrote:
Hello,
I hope I do not bug you too often, but I keep receiving error messages. 
Here is one, upon loading a PDB file generated using Chimera, and no spins 
are loaded in the spin viewer. I am using 3.1.7.
Stefano

Internal relax PDB parser.
Opening the file '/Users/stefano/Desktop/13-BpUreE-NMR/Manuscript/Figure 
6,7 - Dynamics/relax/dimer_H.pdb' for reading.
Traceback (most recent call last):
  File "gui/interpreter.pyc", line 303, in run
  File "pipe_control/structure/main.pyc", line 722, in read_pdb
  File "lib/structure/internal/object.pyc", line 1813, in load_pdb
  File "lib/structure/internal/object.pyc", line 500, in _parse_pdb_ss
  File "lib/structure/pdb_read.pyc", line 1221, in sheet
IndexError: string index out of range
Exception in thread Thread-1:
Traceback (most recent call last):
  File "threading.pyc", line 808, in __bootstrap_inner
  File "gui/interpreter.pyc", line 323, in run
  File "status.pyc", line 369, in release
  File "status.pyc", line 413, in notify
  File "gui/analyses/auto_model_free.pyc", line 276, in activate
  File 
"/Applications/relax.app/Contents/Resources/lib/python2.7/wx/_core.py", 
line 16769, in CallAfter
AssertionError: callableObj is not callable



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