Commit | Date | |
---|---|---|
[r18581]
by
bugman
Created the Structure.test_web_of_motion_13 system test. This was just to be sure that the models argument was correctly handled by the structure.web_of_motion |
2013-02-27 19:40:05 | Tree |
[r18580]
by
bugman
Fixes for the Structure.test_web_of_motion_12 system test. The PDB output was not compared to the correct results. |
2013-02-27 19:37:51 | Tree |
[r18579]
by
bugman
Implemented the models argument for the structure.web_of_motion user function. This was previously not being used and was caught by the Structure.test_web_of_motion_12 system |
2013-02-27 19:37:06 | Tree |
[r18578]
by
bugman
Created the Structure.test_web_of_motion_12 system test to show how model sets are currently ignored. |
2013-02-27 19:23:31 | Tree |
2013-02-27 19:20:50 | Tree | |
[r18576]
by
bugman
The structure.web_of_motion user function can now handle file objects as well as file names as input. |
2013-02-27 19:18:51 | Tree |
[r18575]
by
bugman
Created the Structure.test_web_of_motion_all system test. This is to check the new structure.web_of_motion user function. |
2013-02-27 19:10:47 | Tree |
[r18574]
by
bugman
A new PDB file with 3 models and a few atoms for testing of the structure.web_of_motion user function. |
2013-02-27 18:58:36 | Tree |
[r18573]
by
bugman
Created the structure.web_of_motion user function. This is used to create a special PDB file which represents the atomic motions between different |
2013-02-27 18:40:48 | Tree |
[r18572]
by
bugman
Fix for the assembly of atomic positions for the frame order analysis. This is for the _minimise_setup_atomic_pos() method. Previously the warning "RelaxWarning: |
2013-02-25 13:13:04 | Tree |