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relax is a program designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation data. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, and the Lipari and Szabo model-free analysis.
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13:06 on Feb 13, 2012
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The last message was received 4.79 days ago at 18:10 on Feb 08, 2012
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18:10 Wednesdayrelax
Commit by bugman :: r15329 /branches/frame_order_testing/test_suite/system_tests/frame_order.py:
Renamed all of the RDC and PCS only frame order system tests to be more obvious.
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18:07 Wednesdayrelax
Commit by bugman :: r15328 /branches/frame_order_testing/test_suite/ (2 files in 2 dirs):
Updates for the isotropic cone frame order system test chi-square values.
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17:59 Wednesdayrelax
Commit by bugman :: r15327 /branches/frame_order_testing/ (5 files in 3 dirs):
Merged revisions 15326 via svnmerge from
svn+ssh://bugman at svn dot gna dot org/svn/relax/1.3

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  r15326 | bugman | 2012-02-08 15:33:34 +0100 (Wed, 08 Feb 2012) | 5 lines

  Implemented the rdc.delete and pcs.delete user function backends.

  This code previously did not exist, although the front ends were exposed to the user!
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17:57 Wednesdayrelax
Commit by bugman :: r15326 /1.3/ (4 files in 2 dirs):
Implemented the rdc.delete and pcs.delete user function backends.

This code previously did not exist, although the front ends were exposed to the user!
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17:42 Wednesdayrelax
Commit by bugman :: r15325 /branches/frame_order_testing/test_suite/system_tests/ (2 files in 2 dirs):
Improvements and clean ups for the frame order system tests.

A tearDown() method is now provided to clean up the relax state, and the flags are now all stored
in the status object rather than data store to allow states to be loaded.
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17:41 Wednesdayrelax
Commit by bugman :: r15324 /branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/ (iso_cone.py iso_cone_torsionless.py):
The loading state flags are now set for some of the frame order system tests.
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17:37 Wednesdayrelax
Commit by bugman :: r15323 /branches/frame_order_testing/ (. data/__init__.py):
Merged revisions 15322 via svnmerge from
svn+ssh://bugman at svn dot gna dot org/svn/relax/1.3

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  r15322 | bugman | 2012-02-08 15:13:04 +0100 (Wed, 08 Feb 2012) | 3 lines

  The relax data store __repr__() method now prints out all objects within the base object.
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17:37 Wednesdayrelax
Commit by bugman :: r15322 /1.3/data/__init__.py:
The relax data store __repr__() method now prints out all objects within the base object.
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17:12 Wednesdayrelax
Commit by bugman :: r15321 /branches/frame_order_testing/test_suite/system_tests/frame_order.py:
Fix for the failure reporting of the frame order system tests when a save state is used.
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17:10 Wednesdayrelax
Commit by bugman :: r15320 /branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py:
Fix for the base frame order system test script for when a loaded state is being used.
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15:10 Wednesdayrelax
Commit by bugman :: r15319 /branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py:
Reverted r15317 as the change of behaviour now occurs in the base script.

The command used was:
svn merge -r15317:r15316 .

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  r15317 | bugman | 2012-02-08 11:41:39 +0100 (Wed, 08 Feb 2012) | 6 lines

  Switched the isotropic cone frame order system test to use the save file.

  This significantly speeds up the system test, as all the sequence generation and RDC and PCS data
  reading is skipped.
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14:16 Wednesdayrelax
Commit by bugman :: r15318 /branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.py:
Modified the base script for the frame order system tests to allow the state file to be used.

If the load_state flag is set, then instead of the full loading of all the data, the pre-created
state files in the shared data directories will be used. This is to significantly speed up these
system tests.
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14:05 Wednesdayrelax
Commit by bugman :: r15317 /branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py:
Switched the isotropic cone frame order system test to use the save file.

This significantly speeds up the system test, as all the sequence generation and RDC and PCS data
reading is skipped.
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14:01 Wednesdayrelax
Commit by bugman :: r15316 /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/ (13 files in 12 dirs):
Switched to using the value.set user function for all the setting of parameters.
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13:52 Wednesdayrelax
Commit by bugman :: r15315 /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py:
Fix for the torsionless frame order model test data matching that of r15314.
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13:51 Wednesdayrelax
Commit by bugman :: r15314 /branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.py:
Fix for the cone axis in the isotropic cone frame order model system test.

The azimuthal and polar angles did not match!
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21:15 Tuesdayrelax
Commit by bugman :: r15313 /branches/frame_order_testing/maths_fns/frame_order.py:
The torsionless iso cone model target functions now accept the ave pos alpha Euler angle.
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21:09 Tuesdayrelax
Commit by bugman :: r15312 /branches/frame_order_testing/specific_fns/frame_order.py:
The average position alpha Euler angle has been reintroduced into the torsionless iso cone model.

This frame order model appears to require this parameter!
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19:58 Tuesdayrelax
Commit by bugman :: r15311 /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/ (2 files):
Added a script and the result for calculating the exact frame order matrix.
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19:16 Tuesdayrelax
Commit by bugman :: r15310 /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone/ (4 files):
Re-performed the frame order analysis on the isotropic cone test model data.

This is to update the save file for the recently changed spin variable names.
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