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 _______________________________________________________ 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> _______________________________________________ Message sent via/by Gna! http://gna.org/