mail[bug #7583] No relaxation data is read if the file contains more than 4 columns.


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Posted by Edward d Auvergne on October 30, 2006 - 17:29:

URL:
  <http://gna.org/bugs/?7583>

                 Summary: No relaxation data is read if the file contains
more than 4 columns.
                 Project: relax
            Submitted by: bugman
            Submitted on: Monday 10/30/2006 at 16:29
                Category: relax's source code
                Priority: 5 - Normal
                Severity: 4 - Important
                  Status: In Progress
                 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:

The user function 'relax_data.read()' does not read in any relaxation data if
the file containing that data contains more than 4 columns!  Subsequently all
residues are deselected during optimisation, either the 'grid_search' or
'minimise' user functions.  This then causes various failures as not a single
residue is selected.






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