relax / SVN archive Commit Log

Commit	Date
[r18052] by bugman Merged revisions 18043-18048 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r18043 \| bugman \| 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) \| 5 lines Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure. This is a test of the long range, absolute RDCs for menthol. ........ r18044 \| bugman \| 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) \| 7 lines Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis. If the second atom of the pair in the intermolecular data container holding the RDC data was a pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second atoms being pseudo-atoms is supported. ........ r18045 \| bugman \| 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) \| 3 lines Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data. ........ r18046 \| bugman \| 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) \| 3 lines Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test. ........ r18047 \| bugman \| 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) \| 6 lines Modified the N_state_model.test_populations system test to catch bug #20335. This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and PCS data. ........ r18048 \| bugman \| 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) \| 5 lines Fix for bug #20335 (https://gna.org/bugs/?20335). The global alignment ID data structure now has the RDC or PCS ID string correctly removed. ........	2012-11-30 12:02:39	Tree
[r18051] by bugman Merged revisions 18043-18048 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r18043 \| bugman \| 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) \| 5 lines Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure. This is a test of the long range, absolute RDCs for menthol. ........ r18044 \| bugman \| 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) \| 7 lines Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis. If the second atom of the pair in the intermolecular data container holding the RDC data was a pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second atoms being pseudo-atoms is supported. ........ r18045 \| bugman \| 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) \| 3 lines Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data. ........ r18046 \| bugman \| 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) \| 3 lines Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test. ........ r18047 \| bugman \| 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) \| 6 lines Modified the N_state_model.test_populations system test to catch bug #20335. This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and PCS data. ........ r18048 \| bugman \| 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) \| 5 lines Fix for bug #20335 (https://gna.org/bugs/?20335). The global alignment ID data structure now has the RDC or PCS ID string correctly removed. ........	2012-11-30 12:02:37	Tree
[r18050] by bugman Merged revisions 18043-18048 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r18043 \| bugman \| 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) \| 5 lines Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure. This is a test of the long range, absolute RDCs for menthol. ........ r18044 \| bugman \| 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) \| 7 lines Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis. If the second atom of the pair in the intermolecular data container holding the RDC data was a pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second atoms being pseudo-atoms is supported. ........ r18045 \| bugman \| 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) \| 3 lines Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data. ........ r18046 \| bugman \| 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) \| 3 lines Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test. ........ r18047 \| bugman \| 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) \| 6 lines Modified the N_state_model.test_populations system test to catch bug #20335. This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and PCS data. ........ r18048 \| bugman \| 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) \| 5 lines Fix for bug #20335 (https://gna.org/bugs/?20335). The global alignment ID data structure now has the RDC or PCS ID string correctly removed. ........	2012-11-30 12:01:41	Tree
[r18049] by bugman Merged revisions 18043-18048 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r18043 \| bugman \| 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) \| 5 lines Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure. This is a test of the long range, absolute RDCs for menthol. ........ r18044 \| bugman \| 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) \| 7 lines Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis. If the second atom of the pair in the intermolecular data container holding the RDC data was a pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second atoms being pseudo-atoms is supported. ........ r18045 \| bugman \| 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) \| 3 lines Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data. ........ r18046 \| bugman \| 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) \| 3 lines Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test. ........ r18047 \| bugman \| 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) \| 6 lines Modified the N_state_model.test_populations system test to catch bug #20335. This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and PCS data. ........ r18048 \| bugman \| 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) \| 5 lines Fix for bug #20335 (https://gna.org/bugs/?20335). The global alignment ID data structure now has the RDC or PCS ID string correctly removed. ........	2012-11-30 12:01:39	Tree
[r18048] by bugman Fix for bug #20335 (https://gna.org/bugs/?20335). The global alignment ID data structure now has the RDC or PCS ID string correctly removed.	2012-11-30 12:00:20	Tree
[r18047] by bugman Modified the N_state_model.test_populations system test to catch bug #20335. This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and PCS data.	2012-11-30 11:57:10	Tree
[r18046] by bugman Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.	2012-11-30 10:17:02	Tree
[r18045] by bugman Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.	2012-11-30 10:03:20	Tree
[r18044] by bugman Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis. If the second atom of the pair in the intermolecular data container holding the RDC data was a pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second atoms being pseudo-atoms is supported.	2012-11-30 09:58:01	Tree
[r18043] by bugman Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure. This is a test of the long range, absolute RDCs for menthol.	2012-11-30 09:54:48	Tree

[r18052] by bugman

Merged revisions 18043-18048 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18043 | bugman | 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) | 5 lines

Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure.

This is a test of the long range, absolute RDCs for menthol.
........
r18044 | bugman | 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) | 7 lines

Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second
atoms being pseudo-atoms is supported.
........
r18045 | bugman | 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) | 3 lines

Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.
........
r18046 | bugman | 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) | 3 lines

Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.
........
r18047 | bugman | 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) | 6 lines

Modified the N_state_model.test_populations system test to catch bug #20335.

This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and
PCS data.
........
r18048 | bugman | 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) | 5 lines

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.
........

2012-11-30 12:02:39

Tree

[r18051] by bugman

Merged revisions 18043-18048 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18043 | bugman | 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) | 5 lines

Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure.

This is a test of the long range, absolute RDCs for menthol.
........
r18044 | bugman | 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) | 7 lines

Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second
atoms being pseudo-atoms is supported.
........
r18045 | bugman | 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) | 3 lines

Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.
........
r18046 | bugman | 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) | 3 lines

Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.
........
r18047 | bugman | 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) | 6 lines

Modified the N_state_model.test_populations system test to catch bug #20335.

This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and
PCS data.
........
r18048 | bugman | 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) | 5 lines

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.
........

2012-11-30 12:02:37

Tree

[r18050] by bugman

Merged revisions 18043-18048 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18043 | bugman | 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) | 5 lines

Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure.

This is a test of the long range, absolute RDCs for menthol.
........
r18044 | bugman | 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) | 7 lines

Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second
atoms being pseudo-atoms is supported.
........
r18045 | bugman | 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) | 3 lines

Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.
........
r18046 | bugman | 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) | 3 lines

Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.
........
r18047 | bugman | 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) | 6 lines

Modified the N_state_model.test_populations system test to catch bug #20335.

This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and
PCS data.
........
r18048 | bugman | 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) | 5 lines

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.
........

2012-11-30 12:01:41

Tree

[r18049] by bugman

Merged revisions 18043-18048 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18043 | bugman | 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) | 5 lines

Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure.

This is a test of the long range, absolute RDCs for menthol.
........
r18044 | bugman | 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) | 7 lines

Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second
atoms being pseudo-atoms is supported.
........
r18045 | bugman | 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) | 3 lines

Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.
........
r18046 | bugman | 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) | 3 lines

Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.
........
r18047 | bugman | 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) | 6 lines

Modified the N_state_model.test_populations system test to catch bug #20335.

This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and
PCS data.
........
r18048 | bugman | 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) | 5 lines

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.
........

2012-11-30 12:01:39

Tree

[r18048] by bugman

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.

2012-11-30 12:00:20

Tree

[r18047] by bugman

Modified the N_state_model.test_populations system test to catch bug #20335.

This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and
PCS data.

2012-11-30 11:57:10

Tree

[r18046] by bugman

Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.

2012-11-30 10:17:02

Tree

[r18045] by bugman

Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.

2012-11-30 10:03:20

Tree

[r18044] by bugman

Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second
atoms being pseudo-atoms is supported.

2012-11-30 09:58:01

Tree

[r18043] by bugman

Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure.

This is a test of the long range, absolute RDCs for menthol.

2012-11-30 09:54:48

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

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