mail[bug #20470] The unnumbered spin name 'H' already exists.


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Posted by Edward d Auvergne on February 01, 2013 - 12:47:
URL:
  <http://gna.org/bugs/?20470>

                 Summary: The unnumbered spin name 'H' already exists.
                 Project: relax
            Submitted by: bugman
            Submitted on: Fri 01 Feb 2013 11:47:57 AM GMT
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: bugman
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 2.2.0
        Operating System: All systems

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Details:

This was reported on the relax users mailing list (see
http://thread.gmane.org/gmane.science.nmr.relax.user/1387).  The following
instructions from the post trigger the bug:

* create a data pipe inside relax (pipe.create)
* get 1OGT.pdb and load by
  > structure.read_pdb('./1OGT.pdb', read_mol=1)
* load amide nitrogens:
  > structure.load_spins(spin_id='@N', ave_pos=True)
* attach protons
  > sequence.attach_protons()






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