mailRe: [bug #5501] residue deselection problem on relax_data.read()


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Posted by Edward d'Auvergne on March 15, 2006 - 14:10:
The deselection bug described in #5501 was originally designed as a
feature specifically to prevent residues from having less relaxation
data points than parameters in the model-free models.  If the
behaviour is changed, we will need to work out how to handle less data
than parameters.  For example, what should relax do if a residue with
only one data point is encountered?  If 6 data points are collected
but two are missing, what should happen with model m8?  How can the
final behaviour be made so that it is obvious to the end user what
will actaully happen in any data vs. parameter combination?

Edward



On 3/15/06, Chris MacRaild <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:

URL:
  <http://gna.org/bugs/?func=detailitem&item_id=5501>

                 Summary: residue deselection problem on relax_data.read()
                 Project: relax
            Submitted by: macraild
            Submitted on: Wednesday 03/15/2006 at 09:48
                Category: None
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: In Progress
                 Privacy: Public
             Assigned to: macraild
        Originator Email:
             Open/Closed: Open

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Details:

Currently, relax_data.read() tests all residues for whether or not they
contain data after the data file hes been read. Those without data are
deselected.

This causes all residues which lack data in the first loaded file to be
deselected even after loading new data for that residue.

An immediate work-around is to explicitly select resdiues as neccesary.






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