Commit | Date | |
---|---|---|
[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 |
[r26111]
by
bugman
Modified the Structure.test_align system test so that translations and rotations match the algorithm. This allows the output of the structure.align user function to be checked to see if the rotation |
2014-10-01 17:44:22 | Tree |
[r26110]
by
bugman
Extended the Structure.test_align system test to throughly check the structural data. This includes changing the structure.align user function call to use 'fit to first' and carefully |
2014-10-01 17:44:20 | Tree |
2014-10-01 17:44:16 | Tree | |
2014-10-01 17:44:15 | Tree |