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Commit Date  
[r23173] by bugman

Created the new pymol.frame_order user function.

This user function pairs with the frame_order.pdb_model user function, taking the three PDB files
created and displaying them nicely. Neither user function is complete, however the rotor
representation of certain frame order models is handled correctly.

2014-05-14 16:48:46 Tree
[r23172] by bugman

Fix for bug #22039, the printing out of Dpar twice by the diffusion_tensor.display user function.

This is reported at https://gna.org/bugs/?22039.

The solution is given in the original bug report.

2014-05-14 16:32:29 Tree
[r23171] by bugman

Fix for the axis labels in the rdc.corr_plot user function when T data is converted to D.

2014-05-14 09:36:17 Tree
[r23170] by bugman

The rdc.corr_plot and pcs.corr_plot user function now use the Grace icon in the GUI.

2014-05-14 09:32:15 Tree
[r23169] by bugman

Added the 'title' and 'subtitle' arguments to the rdc.corr_plot user function.

This allows the defaults to be overridden with user supplied titles and subtitles.

2014-05-14 09:31:28 Tree
[r23168] by bugman

The units are now included in the Grace axis labels created by the rdc.corr_plot user function.

2014-05-14 09:16:14 Tree
[r23167] by bugman

Improvements for the 2D Grace plots created by the rdc.corr_plot user function.

The autoscaling is now turned off, as the data set representing the diagonal (with points
[-100, -100] and [100, 100]) causes the world view to be set to be between -100 to 100 or -200 to
200.

The world view is set to be between -50 and 50 Hz, so that all RDCs should be visible. The ticks in
the plot have also been set so that the minor ticks are at every Hz increment.

2014-05-14 09:13:39 Tree
[r23166] by bugman

Advances to the Grace 2D plotting abilities in the lib.software.grace relax library module.

The write_xy_header() function now accepts the new 'world', 'tick_major_spacing', and
'tick_minor_count' arguments. These allow the world view to be preset, and allow the ticks on the
X and Y-axes to be programatically changed. The write_xy_data() has also been modified so that the
autoscaling can be turned off, as this Grace command will overwrite the world view and tick setup.

2014-05-14 09:09:37 Tree
[r23165] by bugman

Exampled the stereochemistry analysis section of the N-state model chapter of the manual.

2014-05-14 06:48:46 Tree
[r23164] by bugman

Editing of the auto_analyses.stereochem_analysis module docstring.

The line wrapping to 100 characters has been removed.

2014-05-14 06:47:58 Tree
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