Commit | Date | |
---|---|---|
[r9554]
by
bugman
Fix for the test_opt_rigid_rand_rot() system test. The changes to the frame order grid search broke this test. |
2009-09-22 11:15:40 | Tree |
2009-09-22 10:04:37 | Tree | |
[r9552]
by
bugman
Added a false, deliberately broken Xplor line to test the parsing of Xplor NOE files. |
2009-09-22 09:50:31 | Tree |
[r9551]
by
bugman
Fix for the __unpack_opt_results() for the new direct calling of the grid search. The returned results are different. |
2009-09-21 18:25:52 | Tree |
2009-09-21 17:39:41 | Tree | |
[r9549]
by
bugman
Implemented the acos grid search for angular parameters of the frame order theories. |
2009-09-21 17:37:50 | Tree |
[r9548]
by
bugman
Complete redesign of the grid_search() method. The grid ops structure is no longer created, rather the grid is directly created to be passed to the |
2009-09-21 16:44:14 | Tree |
[r9547]
by
bugman
Fix for the missing PDB file error. The extension '.pdb' was being added to the end so if the missing file '1F3Y.pdb' was specified, |
2009-09-21 14:20:58 | Tree |
[r9546]
by
bugman
Also halved the number of theta polar angle increments in the frame order grid search. This is to match the cone axis azimuthal angle phi. |
2009-09-21 12:03:55 | Tree |
[r9545]
by
bugman
Removed the end point of the cone angle from the grid search. This is unrestricted motion, so is physically not possible. |
2009-09-21 11:53:39 | Tree |