Commit | Date | |
---|---|---|
[r27731]
by
bugman
Another small fix for the new Rdc.test_rdc_copy_different_spins system test. The rdc.copy user function requires the pipe_to argument to be supplied in this case. |
2015-03-02 16:27:21 | Tree |
[r27730]
by
bugman
Some more fixes for the Rdc.test_rdc_copy_different_spins system test. The residue.delete and not spin.delete user function is required to delete the sequence data. |
2015-03-02 16:24:08 | Tree |
2015-03-02 16:21:19 | Tree | |
[r27728]
by
bugman
Added a printout to the sequence.attach_protons user function listing all the newly created spins. |
2015-03-02 16:21:04 | Tree |
2015-03-02 16:16:56 | Tree | |
[r27726]
by
bugman
Simplification of the new Rdc.test_rdc_copy_different_spins system test. This no longer tests the deletion of interatomic data containers by the spin.delete user function, |
2015-03-02 16:16:44 | Tree |
[r27725]
by
bugman
Created a system test to show a limitation of the rdc.copy user function. Currently, it cannot work when spin systems in two data pipes are different. The system test will |
2015-03-02 15:55:08 | Tree |
[r27724]
by
bugman
Fix for the rdc.write user function. The check for the missing rdc_data_types variable in the interatomic containers is now more |
2015-03-02 14:34:59 | Tree |
[r27723]
by
bugman
Bug fix for the results.write user function when loading relax state files. The results.write user function can load not only the results file consisting of a single data pipe, |
2015-03-02 14:32:59 | Tree |
[r27722]
by
bugman
Improvement for the structure.mean user function. This can now be used to store an averaged structure in an empty data pipe. Previously structural |
2015-03-02 10:58:42 | Tree |