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[r26784] by bugman

Created an initial version of the Frame_order.test_simulate_rotor_z_axis system test.

This is to check the frame_order.simulate user function rotor model along the z-axis. It currently
fails due to a bug in the user function.

2014-11-27 15:27:21 Tree
[r26783] by bugman

Merged revisions 26782 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26782 | bugman | 2014-11-27 15:16:48 +0100 (Thu, 27 Nov 2014) | 8 lines

Modified the printouts from the structure.write_pdb user function if models are present.

Instead of printing out 'MODEL', 'ATOM, HETATM, TER' and 'ENDMDL' for each model, the header 'MODEL
records' is printed followed by a single '.' character for each model. For structures with many models,
this results in a huge speed up of the user function which is strongly limited by how fast the
terminal can display text.
........

2014-11-27 14:23:05 Tree
[r26782] by bugman

Modified the printouts from the structure.write_pdb user function if models are present.

Instead of printing out 'MODEL', 'ATOM, HETATM, TER' and 'ENDMDL' for each model, the header 'MODEL
records' is printed followed by a single '.' character for each model. For structures with many models,
this results in a huge speed up of the user function which is strongly limited by how fast the
terminal can display text.

2014-11-27 14:16:48 Tree
[r26781] by tlinnet

Added initial systemtest of nmrglue, which is a version test.

This is to test, that import nmrglue is functional.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.

2014-11-27 12:33:44 Tree
[r26780] by tlinnet

Initialised file for systemtests of nmrglue.

This is called by:
relax -s Nmrglue

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.

2014-11-27 12:24:26 Tree
[r26779] by tlinnet

Copied systemtest of bruker.py, to establish systemtest of nmrglue.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.

2014-11-27 12:18:26 Tree
[r26778] by tlinnet

Added nmrglue version 0.4, to extern/nmrglue/nmrglue_0_4.

This uses the BSD License.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.

2014-11-27 12:06:39 Tree
[r26777] by tlinnet

Added __init__.py file and README.txt to explain how to upgrade nmrglue.

This is to prepare for a new 0.5 version, which is in development.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.

2014-11-27 12:06:28 Tree
[r26776] by tlinnet

Prepare __init__.py file to import extern/nmrglue/nmrglue_0_4 (version 0.4 of nmrglue), as standard nmrglue function.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.

2014-11-27 11:50:03 Tree
[r26775] by tlinnet

Initialized merge tracking via "svnmerge" with revisions "1-26773" from
svn+ssh://tlinnet@.../svn/relax/trunk

2014-11-27 10:35:08 Tree
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