[bug #12679] Grace input for Rex vs timescale does not work -- December 04, 2008 - 16:01

URL:
  <http://gna.org/bugs/?12679>

                 Summary: Grace input for Rex vs timescale does not work
                 Project: relax
            Submitted by: None
            Submitted on: Thursday 12/04/2008 at 16:01 CET
                Category: None
                Severity: 4 - Important
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: Michael Funk
        Originator Email: mifu@xxxxxxxxxxxxxxxxx
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 1.3.3
        Operating System: GNU/Linux

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Details:

The Grace input file created by relax for plotting Rex vs timescale does not
match the Grace input syntax. Specfically, the input file contains a list
(example: [ 0.002  0.004  0.006  0.008  0.01   0.012  0.014  0.016][ 576969. 
366193.  308795.  280368.  251834.  260120.  260157.  200529.]) for each
residue, which is not an acceptable input (apparently).


Files necessary to run the test suite should be found at bug 12670:
reporthttp://gna.org/bugs/?12670


In addition, the manual suggests this command for making the normalized
intensity plots:

relax> grace.write(x_data_type=`relax_times', y_data_type=`ave_int',
file=`intensities_norm.agr', force=True, norm=True) 

However, the y_data_type "ave_int" is apparently not supported as it returns
an error when present. Whether this makes a difference or not for making this
plot is not clear because of the previous bug.




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