mail[bug #20120] The grace.write user function fails when residues contain more than one spin type.


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Posted by Edward d Auvergne on September 01, 2012 - 10:05:
URL:
  <http://gna.org/bugs/?20120>

                 Summary: The grace.write user function fails when residues
contain more than one spin type.
                 Project: relax
            Submitted by: bugman
            Submitted on: Sat 01 Sep 2012 08:05:27 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: 2.1.0
        Operating System: All systems

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Details:

This is obvious when analysing 15N data.  The first trp indole NH in the
sequence creates a second data set for that spin type.  However all the
subsequent backbone N data is placed into this indole NH data set instead of
the first backbone data set.




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