mail[bug #7616] Incorrect model selection of the global model if the local tm models are included.


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Posted by Edward d Auvergne on November 04, 2006 - 07:05:

URL:
  <http://gna.org/bugs/?7616>

                 Summary: Incorrect model selection of the global model if
the local tm models are included.
                 Project: relax
            Submitted by: bugman
            Submitted on: Saturday 11/04/2006 at 06:05
                Category: relax's source code
                Priority: 9 - Immediate
                Severity: 5 - Blocker
                  Status: None
                 Privacy: Public
             Assigned to: bugman
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Repository: 1.2 line
        Operating System: All systems

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Details:

This problem appears to have been introduced between the 1.2.4 and 1.2.5
relax versions.  If model selection between the local tm models, spherical
diffusion, prolate spheroidal diffusion, oblate spheroidal diffusion, and
ellipsoidal diffusion is attempted, the local tm model is selected as only
the first residue of the local tm model is used in the model selection
algorithm.  This causes the 'full_analysis.py' script to fail!!!






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