Commit | Date | |
---|---|---|
[r7677]
by
bugman
Important bug fix!! The theta angle of the spheroidal diffusion tensor was being improperly wrapped between 0 and pi. |
2008-10-12 17:59:03 | Tree |
[r7676]
by
bugman
The spheroidal diffusion tensor from the mfout file is now read and loaded into the relax data store. |
2008-10-12 17:48:55 | Tree |
2008-10-12 17:38:10 | Tree | |
[r7674]
by
bugman
Updated the checks of the test_palmer_omp() system test to be specific to that test. |
2008-10-12 17:35:56 | Tree |
[r7673]
by
bugman
The Modelfree4 system test using the OMP data now uses the truncated and more standard PDB file. |
2008-10-12 17:28:06 | Tree |
[r7672]
by
bugman
Created a truncated OMP PDB file with only NH vectors of the first 15 residues. The molmol residue name syntax has also been fixed to allow Modelfree4 to be happy. |
2008-10-12 17:26:35 | Tree |
2008-10-12 17:22:42 | Tree | |
2008-10-12 17:03:26 | Tree | |
[r7669]
by
bugman
Created a system test for Modelfree4 with the OMP data. This runs the palmer_omp.py system test script. |
2008-10-12 17:00:13 | Tree |
[r7668]
by
bugman
Removed the reading of the PDB file and setting of a spheroid tensor. This will be tested in a second system test. |
2008-10-12 16:58:28 | Tree |