Commit | Date | |
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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 |
2013-02-18 18:11:52 | Tree | |
2013-02-18 17:57:13 | Tree | |
[r18490]
by
bugman
Docstring addition for the generic_fns.structure.statistics.atomic_rmsd() function. |
2013-02-18 17:56:49 | Tree |
[r18489]
by
bugman
Fix for the structure.add_atom user function for the internal structural object. The atomic positions for each model are now correctly set. |
2013-02-18 17:54:17 | Tree |