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SVN archive Commit Log


Commit Date  
[r6680] by bugman

Added code to connect atoms via CONECT records in the internal PDB reader.

2008-07-04 16:43:32 Tree
[r6679] by semor

Added a copyright to the consistency_tests script.

2008-07-04 16:38:34 Tree
[r6678] by bugman

Bug fix for the loading of multiple files.

Each time a new file was loaded, all its atoms would be appended to all other presently loaded
structures. This would cause large slow downs of the atom_loop() function, and a few other
problems. Now structures are referenced by structure index rather than model number.

2008-07-04 15:58:14 Tree
[r6677] by semor

Added a script for consistency_tests system testing.

This one is, basically, a copy of the sample script. Changes are thus needed for it to work as a
system test script.

2008-07-04 15:18:39 Tree
[r6676] by semor

Added the use of a script for consistency_tests system testing.

2008-07-04 15:17:00 Tree
[r6675] by semor

Changed the test suite reference value for eta so the test passes after the equation modification.

This change follows the one for r6665 (http://svn.gna.org/viewcvs/relax?rev=6665&view=rev) and had
already been made on the 1.2 line, but was also needed on the 1.3 line. See r6611
(http://svn.gna.org/viewcvs/relax?rev=6611&view=rev) for details.

2008-07-04 14:41:12 Tree
[r6674] by bugman

Bug fix for the load_spins() function.

Molecule, residue, and spin information can be missing and the function still work.

2008-07-04 14:40:14 Tree
[r6673] by semor

Some changes towards the new design.

The script doesn't work yet and will be introduced into the test suite for further debugging.

2008-07-04 14:37:40 Tree
[r6672] by bugman

The internal PDB object atom_loop() method now can return the average atom properties, if asked.

2008-07-04 14:35:43 Tree
[r6671] by bugman

The internal PDB object atom_loop() method now recognises the ave arg, but does nothing when True.

2008-07-04 14:14:32 Tree
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