http://cia.vc/stats/project/relax123311692445http://nmr-relax.comrelax 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.Nonerelaxhttp://nmr-relax.comNoneSubversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:46:30 +0100Wed, 08 Feb 2012 15:46:30 +0100<E1Rv8n0-0000ui-Fx@subversion.gna.org>edward@nmr-relax.comrelax15329bugmanbranches/frame_order_testing/test_suite/system_tests/frame_order.pyRenamed all of the RDC and PCS only frame order system tests to be more obvious.2691328724647Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:43:18 +0100Wed, 08 Feb 2012 15:43:18 +0100<E1Rv8ju-0000ZQ-4a@subversion.gna.org>edward@nmr-relax.comrelax15328bugmanbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_statsbranches/frame_order_testing/test_suite/system_tests/frame_order.pyUpdates for the isotropic cone frame order system test chi-square values.461328724444Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:35:42 +0100Wed, 08 Feb 2012 15:35:42 +0100<E1Rv8cY-0007VX-4l@subversion.gna.org>edward@nmr-relax.comrelax15327bugmanbranches/frame_order_testing/branches/frame_order_testing/generic_fns/pcs.pybranches/frame_order_testing/generic_fns/rdc.pybranches/frame_order_testing/prompt/pcs.pybranches/frame_order_testing/prompt/rdc.pyMerged revisions 15326 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/1.3
........
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!
........1711328723988Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:33:34 +0100Wed, 08 Feb 2012 15:33:34 +0100<E1Rv8aU-0007Ay-JI@subversion.gna.org>edward@nmr-relax.comrelax15326bugman1.3/generic_fns/pcs.py1.3/generic_fns/rdc.py1.3/prompt/pcs.py1.3/prompt/rdc.pyImplemented the rdc.delete and pcs.delete user function backends.
This code previously did not exist, although the front ends were exposed to the user!1641328723866Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:18:34 +0100Wed, 08 Feb 2012 15:18:34 +0100<E1Rv8Ly-0004xc-Ma@subversion.gna.org>edward@nmr-relax.comrelax15325bugmanbranches/frame_order_testing/test_suite/system_tests/frame_order.pybranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.pyImprovements 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.1221328722965Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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id 1Rv8Kv-0004rf-AW
for cia@cia.navi.cx; Wed, 08 Feb 2012 15:17:29 +0100Wed, 08 Feb 2012 15:17:29 +0100<E1Rv8Kv-0004rf-AW@subversion.gna.org>edward@nmr-relax.comrelax15324bugmanbranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.pybranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.pyThe loading state flags are now set for some of the frame order system tests.261328722895Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:13:40 +0100Wed, 08 Feb 2012 15:13:40 +0100<E1Rv8HE-0004HU-Kk@subversion.gna.org>edward@nmr-relax.comrelax15323bugmanbranches/frame_order_testing/branches/frame_order_testing/data/__init__.pyMerged revisions 15322 via svnmerge from
svn+ssh://bugman@svn.gna.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.
........411328722666Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 15:13:04 +0100Wed, 08 Feb 2012 15:13:04 +0100<E1Rv8Ge-0004Dn-GW@subversion.gna.org>edward@nmr-relax.comrelax15322bugman1.3/data/__init__.pyThe relax data store __repr__() method now prints out all objects within the base object.341328722636Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 14:48:19 +0100Wed, 08 Feb 2012 14:48:19 +0100<E1Rv7sh-0000Zy-Gz@subversion.gna.org>edward@nmr-relax.comrelax15321bugmanbranches/frame_order_testing/test_suite/system_tests/frame_order.pyFix for the failure reporting of the frame order system tests when a save state is used.231328721144Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 14:46:02 +0100Wed, 08 Feb 2012 14:46:02 +0100<E1Rv7qU-0000Yc-5s@subversion.gna.org>edward@nmr-relax.comrelax15320bugmanbranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.pyFix for the base frame order system test script for when a loaded state is being used.271328721007Subversion CIA Bot client shell script1.1from gna.org (unknown [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 12:46:17 +0100Wed, 08 Feb 2012 12:46:17 +0100<E1Rv5yb-0000e7-FA@subversion.gna.org>edward@nmr-relax.comrelax15319bugmanbranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.pyReverted r15317 as the change of behaviour now occurs in the base script.
The command used was:
svn merge -r15317:r15316 .
.....
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.
.....531328713829Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 11:52:12 +0100Wed, 08 Feb 2012 11:52:12 +0100<E1Rv58G-000169-Kb@subversion.gna.org>edward@nmr-relax.comrelax15318bugmanbranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/base_script.pyModified 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.1861328710579Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 11:41:39 +0100Wed, 08 Feb 2012 11:41:39 +0100<E1Rv4y3-0000RU-M3@subversion.gna.org>edward@nmr-relax.comrelax15317bugmanbranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.pySwitched 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.531328709940Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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id 1Rv4tc-0007TY-AH
for cia@cia.navi.cx; Wed, 08 Feb 2012 11:37:04 +0100Wed, 08 Feb 2012 11:37:04 +0100<E1Rv4tc-0007TY-AH@subversion.gna.org>edward@nmr-relax.comrelax15316bugmanbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order_pseudo_ellipse.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/rigid/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor/frame_order.pybranches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor2/frame_order.pySwitched to using the value.set user function for all the setting of parameters.3191328709665Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 11:28:38 +0100Wed, 08 Feb 2012 11:28:38 +0100<E1Rv4lS-0006kD-GP@subversion.gna.org>edward@nmr-relax.comrelax15315bugmanbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.pyFix for the torsionless frame order model test data matching that of r15314.141328709159Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Wed, 08 Feb 2012 11:27:27 +0100Wed, 08 Feb 2012 11:27:27 +0100<E1Rv4kJ-0006ir-CC@subversion.gna.org>edward@nmr-relax.comrelax15314bugmanbranches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.pyFix for the cone axis in the isotropic cone frame order model system test.
The azimuthal and polar angles did not match!161328709094Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Tue, 07 Feb 2012 18:51:21 +0100Tue, 07 Feb 2012 18:51:21 +0100<E1RupCL-0004kK-Gj@subversion.gna.org>edward@nmr-relax.comrelax15313bugmanbranches/frame_order_testing/maths_fns/frame_order.pyThe torsionless iso cone model target functions now accept the ave pos alpha Euler angle.471328649303Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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(envelope-from <bugman@svn.gna.org>)
id 1Rup6U-0004OW-7l
for cia@cia.navi.cx; Tue, 07 Feb 2012 18:45:18 +0100Tue, 07 Feb 2012 18:45:18 +0100<E1Rup6U-0004OW-7l@subversion.gna.org>edward@nmr-relax.comrelax15312bugmanbranches/frame_order_testing/specific_fns/frame_order.pyThe average position alpha Euler angle has been reintroduced into the torsionless iso cone model.
This frame order model appears to require this parameter!691328648955Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Tue, 07 Feb 2012 17:34:49 +0100Tue, 07 Feb 2012 17:34:49 +0100<E1Ruo0H-0001ms-Ik@subversion.gna.org>edward@nmr-relax.comrelax15311bugmanbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_matrix.logbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order_matrix.pyAdded a script and the result for calculating the exact frame order matrix.951328644709Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Tue, 07 Feb 2012 16:53:03 +0100Tue, 07 Feb 2012 16:53:03 +0100<E1RunLr-0003DZ-NQ@subversion.gna.org>edward@nmr-relax.comrelax15310bugmanbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone/ave_pos.pdbbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone/cone.pdbbranches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.bz2branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.log.bz2Re-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.9671328642197