[bug #19717] relax_fit.py: write.grace, deselect.read parameters -- May 07, 2012 - 11:19

URL:
  <http://gna.org/bugs/?19717>

                 Summary: relax_fit.py: write.grace, deselect.read parameters 
                 Project: relax
            Submitted by: mab
            Submitted on: Mon 07 May 2012 09:19:50 AM GMT
                Category: relax sample scripts
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 1.3.15
        Operating System: Mac OS X (Intel)

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Details:

I noticed that in the sample script relax_fit.py some parameters need to be
updated:

* in write.grace: y_data_type needs to be 'intensities' instead of 'int',
otherwise relax complains
* deselect.read needs the res_num_col specified, otherwise relax complains:
"RelaxError: The identifier '' corresponds to more than a single spin in the
'rx' data pipe."

All of this can be found via the help function however.




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