[bug #21187] "NoneType" error message while loading side chain amide protons -- October 10, 2013 - 12:17

URL:
  <http://gna.org/bugs/?21187>

                 Summary: "NoneType" error message while loading side chain
amide protons
                 Project: relax
            Submitted by: mab
            Submitted on: Thu 10 Oct 2013 10:17:18 AM GMT
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 3.0.0
        Operating System: None

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Details:


First, set up you data pipe and read a pdb with already-attached protons (with
Trp residues).

pipe.create("example", 'mf')
structure.read_pdb('molecule.pdb', set_mol_name='my_molecule')

Loading backbone N and H works, as well as NE1: 
structure.load_spins('@N', ave_pos=True)
structure.load_spins('@NE1', ave_pos=True)
structure.load_spins('@H', ave_pos=True)

But loading the side chain amide proton fails:

relax> structure.load_spins('@HE1', ave_pos=True)
Adding the following spins to the relax data store.

Traceback (most recent call last):
  File "<console>", line 1, in <module>
  File "/usr/local/Cellar/relax/3.0.0/prompt/uf_objects.py", line 221, in
__call__
    self._backend(*new_args, **uf_kargs)
  File "/usr/local/Cellar/relax/3.0.0/pipe_control/structure/main.py", line
608, in load_spins
    spin_cont.pos = pos
AttributeError: 'NoneType' object has no attribute 'pos'






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