Commit | Date | |
---|---|---|
[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 |
[r7667]
by
bugman
Created a new script to test out the handling of Modelfree4 with PDB files and spheroid diffusion. |
2008-10-12 16:57:33 | Tree |
2008-10-12 16:46:57 | Tree | |
[r7665]
by
bugman
Modified the Modelfree4 system test to use a PDB file and spheroid diffusion tensor. |
2008-10-12 16:46:27 | Tree |
2008-10-12 16:45:21 | Tree | |
[r7663]
by
bugman
Fix for running Modelfree4 - the structure is properly copied in the create_run() method. |
2008-10-12 16:43:27 | Tree |