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Commit Date  
[r18551] by bugman

Fix for the generic_fns.structure.pdb_write.model() function.

The correct amount of whitespace is now added to the end of the record.

2013-02-20 19:16:11 Tree
[r18550] by bugman

Created a unit test for the generic_fns.structure.pdb_write.model() function.

2013-02-20 19:12:39 Tree
[r18549] by bugman

Merged revisions 18546 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18546 | bugman | 2013-02-20 18:58:14 +0100 (Wed, 20 Feb 2013) | 5 lines

Epydoc docstring formatting for the generic_fns.structure.pdb_write modules.

These large changes improve the API documentation at http://www.nmr-relax.com/api/.
........

2013-02-20 18:44:50 Tree
[r18548] by bugman

Fix for the frame order specific _target_fn_setup() method.

The problem was recently introduced at r18436. Now the checks for missing PCS and RDC data should
function correctly.

2013-02-20 18:27:50 Tree
[r18547] by bugman

Fix for the structure.rmsd user function for the frame order testing branch.

The code needs to be slightly modified to work with this branch.

2013-02-20 18:22:59 Tree
[r18546] by bugman

Epydoc docstring formatting for the generic_fns.structure.pdb_write modules.

These large changes improve the API documentation at http://www.nmr-relax.com/api/.

2013-02-20 17:58:14 Tree
[r18545] by bugman

Merged revisions 18542-18544 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18542 | bugman | 2013-02-20 17:05:25 +0100 (Wed, 20 Feb 2013) | 6 lines

The diffusion tensor PDB files are now conform better to the PDB standard.

The HET records are now correct, only capitalised text is present in the files, and trailing
whitespace to character 80 has been added.
........
r18543 | bugman | 2013-02-20 17:17:53 +0100 (Wed, 20 Feb 2013) | 5 lines

Fix for the generic_fns.structure.pdb_write.ter() function.

Whitespace to character 80 is now being added to the TER PDB records.
........
r18544 | bugman | 2013-02-20 17:20:17 +0100 (Wed, 20 Feb 2013) | 6 lines

Fix for the creation of the FORMUL PDB records by the internal structural object.

The component number is now set to the index of the hetrogen plus one. This number should have been
a sequential number starting at 1 and is not related to the residue number in any way.
........

2013-02-20 16:27:29 Tree
[r18544] by bugman

Fix for the creation of the FORMUL PDB records by the internal structural object.

The component number is now set to the index of the hetrogen plus one. This number should have been
a sequential number starting at 1 and is not related to the residue number in any way.

2013-02-20 16:20:17 Tree
[r18543] by bugman

Fix for the generic_fns.structure.pdb_write.ter() function.

Whitespace to character 80 is now being added to the TER PDB records.

2013-02-20 16:17:53 Tree
[r18542] by bugman

The diffusion tensor PDB files are now conform better to the PDB standard.

The HET records are now correct, only capitalised text is present in the files, and trailing
whitespace to character 80 has been added.

2013-02-20 16:05:25 Tree
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