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Commit Date  
[r2588] by bugman

Modified the Modelfree4 execution code to test the return status when a PDB file is used.

2006-09-30 13:20:34 Tree
[r2587] by bugman

Fix for bug #7224 (https://gna.org/bugs/?7224).

The problem was simply that the run name was being replaced by None.

2006-09-30 08:50:54 Tree
[r2586] by bugman

Implemented a test for the test suite which catches bug #7224 (https://gna.org/bugs/?7224).

2006-09-30 08:08:59 Tree
[r2585] by bugman

Partial fix for bug #7224 (https://gna.org/bugs/?7224).

The 'param_types' argument of the 'diffusion_tensor.init()' user function was changed to the value
of 3. The rational for this fix is given in the post at
https://mail.gna.org/public/relax-devel/2006-09/msg00042.html (Message-id:
<7f080ed10609300034j2e2487f2p2e252eb941a38e33@...>).

2006-09-30 07:43:36 Tree
[r2584] by bugman

Changed the CSA values in the sample scripts from -160 ppm to -170 ppm.

This idea was suggested at https://mail.gna.org/public/relax-users/2006-09/msg00045.html
(Message-id: <7f080ed10609290808u3d30d31cp8ca6040a239a806d@...>). The parent thread by
Sébastien Morin of the subject of the CSA & bond length is located at
https://mail.gna.org/public/relax-users/2006-09/msg00042.html (Message-id:
<451C1910.6060108@...>).

2006-09-30 07:23:02 Tree
[r2583] by bugman

Changes to Chapter 2 of the manual (sample scripts and the test suite).

These changes complete task #3781 (https://gna.org/task/?3781).

The sample script section has been modified and a section for the relax test suite has been added.

2006-09-30 05:40:48 Tree
[r2582] by bugman

Merged r2579 to r2581 of the 1.2 line into the 1.3 line.

The command used was:
svn merge -r2578:2581 svn+ssh://bugman@.../svn/relax/1.2

This includes a fix for bug #7192 and a few other superficial changes.

2006-09-30 04:20:04 Tree
[r2581] by bugman

Fix for bug #7192 (https://gna.org/bugs/index.php?7192).

This bug was reported by Alex Hansen (viochemist_at_gmail_dot_com) and was
originally described at:
https://mail.gna.org/public/relax-users/2006-09/msg00026.html
(Message-id: <481156b20609251426r4a74f9f1p8fcf564354e61892@...>).

In addition to the fix of not skipping unselected residues described at
https://mail.gna.org/public/relax-devel/2006-09/msg00018.html
(Message-id: <7f080ed10609261109p2c7229e4ie02a894ac110dc3a@...>), I
have also added code to the 'self.num_instances()' model-free function to catch
the situation of 'self.determine_param_set_type()' returning None. If this
occurs, RelaxFault is raised!

2006-09-27 06:19:29 Tree
[r2580] by bugman

Removed a few lines of sconstruct code which had been commented out and are no longer used.

2006-09-20 08:25:54 Tree
[r2579] by bugman

Merged r2506 to r2578 of the 1.2 line into the untouched 1.3 line.

The command used was:
svn merge -r2506:2578 svn+ssh://bugman@.../svn/relax/1.2

2006-09-20 08:21:09 Tree
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