Commit | Date | |
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[r26789]
by
bugman
Fixes for the Frame_order.test_simulate_rotor_z_axis system test. Now 6 atoms are being created at X, -X, Y, -Y, Z, and -Z, 100 Angstrom from the origin. This is |
2014-11-27 16:56:25 | Tree |
[r26788]
by
tlinnet
Added the initial systemtest Nmrglue.test_nmrglue_read to read spectrum files via nmrglue. Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. |
2014-11-27 15:43:26 | Tree |
[r26787]
by
tlinnet
Added the user funcion spectrum.nmrglue_read to read spectrum files via nmrglue. Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. |
2014-11-27 15:43:24 | Tree |
[r26786]
by
tlinnet
Added a class instance object for handling and storing nmrglue data. Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. |
2014-11-27 15:43:22 | Tree |
[r26785]
by
tlinnet
Added the initial pipe_control and lib.software modules, for the wrapper functions to nmrglue. Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. |
2014-11-27 15:43:19 | Tree |
[r26784]
by
bugman
Created an initial version of the Frame_order.test_simulate_rotor_z_axis system test. This is to check the frame_order.simulate user function rotor model along the z-axis. It currently |
2014-11-27 15:27:21 | Tree |
[r26783]
by
bugman
Merged revisions 26782 via svnmerge from ........ |
2014-11-27 14:23:05 | Tree |
[r26782]
by
bugman
Modified the printouts from the structure.write_pdb user function if models are present. Instead of printing out 'MODEL', 'ATOM, HETATM, TER' and 'ENDMDL' for each model, the header 'MODEL |
2014-11-27 14:16:48 | Tree |
[r26781]
by
tlinnet
Added initial systemtest of nmrglue, which is a version test. This is to test, that import nmrglue is functional. Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. |
2014-11-27 12:33:44 | Tree |
[r26780]
by
tlinnet
Initialised file for systemtests of nmrglue. This is called by: Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them. |
2014-11-27 12:24:26 | Tree |