Commit | Date | |
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[r8023]
by
bugman
Added a catch for missing data in the grace.write() user function back end. A RelaxWarning is now thrown saying that an empty file will be created. |
2008-11-25 14:17:22 | Tree |
[r8022]
by
bugman
Merged revisions 8014,8016 via svnmerge from ........ |
2008-11-25 13:16:41 | Tree |
[r8021]
by
bugman
Added a system test script for the dynamically averaged J-coupling analysis. This corresponds to the J-test2.py file attached to task #6328 (https://gna.org/task/?6328). The script is designed for implementing the new code, it contains a few as of yet non-existent user |
2008-11-21 19:30:47 | Tree |
[r8020]
by
bugman
Added a PDB file of a small molecule consisting of 10 models. This corresponds to the RR-4402_corr.pdb file attached to task #6328 (https://gna.org/task/?6328). |
2008-11-21 19:28:02 | Tree |
[r8019]
by
bugman
Added an Xplor input file containing J-couplings. This corresponds to the J-test.tbl file attached to task #6328 (https://gna.org/task/?6328). |
2008-11-21 19:26:02 | Tree |
2008-11-21 19:24:31 | Tree | |
2008-11-21 17:39:05 | Tree | |
2008-11-21 17:38:37 | Tree | |
2008-11-21 17:36:43 | Tree | |
[r8014]
by
bugman
The structure.load_spins() user function now tests if a structure has been loaded. |
2008-11-21 17:35:42 | Tree |