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SVN archive Commit Log


Commit Date  
[r8534] by bugman

Renamed the MolContainer 'mol' element to 'mol_cont'.

This prevents a clash with the pipe container 'mol' structure.

2009-01-19 14:05:32 Tree
[r8533] by bugman

Another fix for __ave_atom_pos(), related to the last!

2009-01-19 13:49:23 Tree
[r8532] by bugman

Fixes for __ave_atom_pos(). The Scientific python data structure is now in MolContainer.data.

2009-01-19 13:48:07 Tree
[r8531] by bugman

Fixes for __residue_loop(). The Scientific python data structure is now in MolContainer.data.

2009-01-19 13:39:52 Tree
[r8530] by bugman

Regenerated all the results files containing structural info.

2009-01-19 13:37:21 Tree
[r8529] by bugman

Fix for the load_pdb() method.

The 'other' molecule types are now added to a standard list in MolContainer.data.

2009-01-19 13:34:00 Tree
[r8528] by bugman

Fixes for the Scientific python MolContainer usage.

Now all molecules are stored in the MolContainer object to allow for the to_xml() method, which has
now been added. The MolContainer is no longer a list type. These changes will break things!

2009-01-19 13:33:03 Tree
[r8527] by bugman

Bug fix for the MolList.to_xml() method.

The molecule container data was been added by this method and then the MolContainer.to_xml() method
a second time!

2009-01-19 13:31:07 Tree
[r8526] by bugman

Bug fix for the Base_struct_API.to_xml() method.

The model XML elements are now children of the structure XML element.

2009-01-19 13:08:52 Tree
[r8525] by bugman

Modified the Base_struct_API.to_xml() method to only call ModelList.to_xml() if structural data exists.

2009-01-19 13:04:03 Tree
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