Commit | Date | |
---|---|---|
2010-03-18 18:47:02 | Tree | |
[r11023]
by
bugman
The relaxation data from diffusion tensor script now calculates the data at multiple field strengths. The new data has also been added to the repository. |
2010-03-18 18:30:01 | Tree |
[r11022]
by
bugman
Added relaxation data for a diffusion tensor with no internal motion. A script has been added to generate a uniform distribution of vectors (output to PDB) and the |
2010-03-18 18:24:45 | Tree |
[r11021]
by
bugman
Final bug fix for the ellipsoid() function for the (Dxx, Dyy, Dzz, Dxy, Dxz, Dyz) parameter set. The 2304 unique Euler angle values for a rank-2 tensor with no skew (12 axis orders, 2 frames of |
2010-03-18 14:09:00 | Tree |
2010-03-18 09:40:24 | Tree | |
[r11019]
by
bugman
Added 4 system tests for the setting ellipsoidal diffusion tensor (the 4 different param sets). |
2010-03-17 17:41:46 | Tree |
[r11018]
by
bugman
Bug fix for the local_tm_models status value. This was identified by Daniel Pérez <daniel dott perez att mol dott biol dott ethz dott ch> in the |
2010-03-17 14:01:49 | Tree |
[r11017]
by
bugman
Creation of the NOE auto-analysis module. This is a modified copy of the sample script created by Michael Bieri. The key references are: |
2010-03-17 00:31:41 | Tree |
[r11016]
by
bugman
Another bug fix for the ellipsoid() function for the (Dxx, Dyy, Dzz, Dxy, Dxz, Dyz) parameter set. The Euler angles which were in radians were being converted from deg to rad!!! |
2010-03-16 17:42:07 | Tree |
[r11015]
by
bugman
Fix for the ellipsoid() function for the new param_types == 3 (Dxx, Dyy, Dzz, Dxy, Dxz, Dyz) data. The ordering Dx <= Dy <= Dz was not being used so the rhombicity was incorrectly calculated. |
2010-03-16 17:18:35 | Tree |