Commit | Date | |
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[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 |
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 |
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 |
2013-02-19 16:51:06 | Tree |
[r18499]
by
bugman
Created the generic_fns.structure.pdb_read module. This replaces the internal structural object _parse_pdb_record() method which was handling both |
2013-02-19 16:37:08 | Tree |
2013-02-19 16:14:24 | Tree | |
[r18497]
by
bugman
Added a new module generic_fns.structure.pdb_write for generating the PDB records. This decouples the formatting code from the internal structural obect. The PDB format has been |
2013-02-19 15:46:47 | Tree |
[r18496]
by
bugman
Created the Structure.test_rmsd_ubi system test to better check the structure.rmsd user function. This uses the truncated ubiquitin ensemble in the test suite shared data directories. The RMSD |
2013-02-18 20:26:12 | Tree |
2013-02-18 20:20:06 | Tree | |
[r18494]
by
bugman
Updated the generic_fns.structure package __all__ variable to include the statistics module. |
2013-02-18 19:58:10 | Tree |
[r18493]
by
bugman
Created a new float_object argument type which is used by the 'pos' argument of structure.add_atom. A new arg_check.float_object() function has been created to handle any float object greater than |
2013-02-18 19:56:50 | Tree |