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SVN archive Commit Log


Commit Date  
[r18509] by bugman

Implemented the generic_fns.structure.pdb_read.helix() function.

2013-02-19 21:41:03 Tree
[r18508] by bugman

Completed the unit test of the generic_fns.structure.pdb_read.helix() function.

2013-02-19 21:40:14 Tree
[r18507] by bugman

Added some more unit tests for the generic_fns.structure.pdb_read module.

These tests are not yet complete, as it is unknown what these unimplemented functions will return.

2013-02-19 21:13:53 Tree
[r18506] by bugman

Faster PDB parsing by the removal of the use of the re.search() function.

Now line slices are directly compared instead.

2013-02-19 21:03:41 Tree
[r18505] by bugman

Added a series of _parse_pdb_*() methods to the internal structural object.

These correspond to each section of the PDB format version 3.30
http://www.wwpdb.org/documentation/format33/v3.3.html. The currently loop over the records of their
section, returning the remaining PDB records. The aim is for fast parsing and breaking into
sections.

2013-02-19 20:54:11 Tree
[r18504] by bugman

Better checks for the atomic data in the Structure.test_read_pdb_1UBQ system test.

2013-02-19 20:45:50 Tree
[r18503] by bugman

Created the Structure.test_read_pdb_1UBQ to check the complete parsing of the complex PDB file.

The test is currently quite basic and needs to check more of the internal structural object.

2013-02-19 20:33:59 Tree
[r18502] by bugman

Changes to the internal structural object.

The _parse_models_pdb() method has been renamed to _parse_pdb_coord() and the opening of the PDB
file shifted into the base load_pdb() method. This is in preparation for better parsing of PDB
files to match the main sections of the PDB format, see
http://www.wwpdb.org/documentation/format33/v3.3.html.

2013-02-19 17:12:54 Tree
[r18501] by bugman

Added the full 1UBQ PDB structure to the relax test-suite shared data directories.

This is a small, very quick to read structure which will be used for validating the reading and
writing of different PDB record types.

2013-02-19 16:58:22 Tree
[r18500] by bugman

Fix for the unit tests of the generic_fns.structure package.

The _parse_pdb_record() is now covered by the new pdb_read module, so its unit tests have also been
shifted into a new module.

2013-02-19 16:51:06 Tree
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