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[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
[r23163] by bugman

Added a new section for the stereochemistry analysis to the N-state model chapter of the manual.

This is just an initial introduction and an inclusion of the sample script.

2014-05-13 22:36:39 Tree
[r23162] by bugman

Replaced 'Q-factor' with 'Q factor' throughout the relax codebase.

This change to the correct notation covers code, comments, and docstrings.

2014-05-13 21:41:56 Tree
[r23161] by bugman

Docstring improvements for the stereochem_analysis.py N-state model sample script.

The paragraphs are now all on one line and 'Q-factor' has been changed to 'Q factor'.

2014-05-13 21:19:44 Tree
[r23160] by bugman

Spacing improvements in the stereochem_analysis.py N-state mode sample script.

2014-05-13 21:16:04 Tree
[r23159] by bugman

Started to create a chapter for the N-state model or ensemble analysis in the manual.

This simply consists of a few introductory sections and the phathalic acid graphic.

2014-05-13 21:09:09 Tree
[r23158] by bugman

Fixed the description of the N-state model in the pipe.create user function.

This has nothing to do with domain motions - it is the treatment of ensembles of structures.

2014-05-13 19:56:37 Tree
[r23157] by bugman

Big bug fix for the relax installation path determination.

This is to fix bug #22037 (http://gna.org/bugs/?22037), the failure to load graphics in the GUI due
to the relax installation path not being set up correctly.

The problem is that the status module was looking for the compat.py file to determine where the base
directory is, but this file has been moved into the lib/ package. Now the dep_check.py file is
being searched for.

2014-05-12 19:30:12 Tree
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