Commit | Date | |
---|---|---|
[r26121]
by
bugman
Bug fix for the CONECT records created by the structure.write_pdb user function. The atom numbers inside the structural object were being used for the CONECT records rather than the |
2014-10-01 17:44:39 | Tree |
[r26120]
by
bugman
Another bug fix for the structure.delete user function when deleting individual atoms. The bonded atom data structure consisting of indices requires all indices after the deleted atom to |
2014-10-01 17:44:37 | Tree |
[r26119]
by
bugman
Expanded the Structure.test_delete_atom system test. This is to show that the structure.write_pdb user function fails after a call to the |
2014-10-01 17:44:35 | Tree |
[r26118]
by
bugman
Created the Structure.test_delete_atom system test. This is used to test the deletion of a single atom using the structure.delete user function. |
2014-10-01 17:44:34 | Tree |
[r26117]
by
bugman
Bug fix for the structure.delete user function. When individual atoms are deleted, the bonded atom data structure is no correctly updated to remove |
2014-10-01 17:44:32 | Tree |
[r26116]
by
bugman
Modified the Structure.test_align system test to call the structure.write_pdb user function. This sets the file name to sys.stdout so that the original structure and the final aligned |
2014-10-01 17:44:30 | Tree |
2014-10-01 17:44:29 | Tree | |
[r26114]
by
bugman
The pipe_control.structure.main.check_structure() checking object now accepts the pipe_name argument. This allows structural data to be checked for in different data pipes without having to switch to |
2014-10-01 17:44:27 | Tree |
[r26113]
by
bugman
The pipe_control.structure.main functions translate() and rotate() now accept the pipe_name argument. This is used to translate and rotate structures in different data pipes, as required by the |
2014-10-01 17:44:25 | Tree |
[r26112]
by
bugman
Implemented the structure.align user function backend. This is similar to the structure.superimpose user function, however the coordinate data structure |
2014-10-01 17:44:24 | Tree |