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: [EMAIL PROTECTED]
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.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?12679>
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