Commit | Date | |
---|---|---|
2008-12-04 01:22:24 | Tree | |
[r8118]
by
semor
Continued the implementation of the reading of the generic peak intensity file. The good file is now input. |
2008-12-04 01:14:08 | Tree |
2008-12-04 01:09:50 | Tree | |
[r8116]
by
bugman
Added a sample script for the creation of the PDB representation of the XH bond vectors. |
2008-12-03 21:56:23 | Tree |
[r8115]
by
bugman
The centre_of_mass() function now only throws warnings rather than RelaxErrors. This allows the CoM to be calculated even if a few elements are unknown or if the element record is |
2008-12-03 21:30:16 | Tree |
[r8114]
by
bugman
Fix for the centre_of_mass() function. When no element entry is present in the PDB file, a RelaxError is thrown. |
2008-12-03 21:03:42 | Tree |
[r8113]
by
bugman
Bug fix for the centre_of_mass() function. The spin id string is now created to correctly return the molecule, residue, and spin containers. |
2008-12-03 20:51:10 | Tree |
[r8112]
by
bugman
Removed the PyMOL execution commands from the XH bond distribution PDB representation system test. |
2008-12-03 20:22:20 | Tree |
[r8111]
by
bugman
Another bug fix for the create_vector_dist() function. This time the atom number was not being incremented for chain B so that there are multiple atoms of |
2008-12-03 20:20:47 | Tree |
[r8110]
by
bugman
Bug fix for the create_vector_dist() function. The chain B of symmetry vectors was exactly the same as chain A and not mirrored. |
2008-12-03 20:17:30 | Tree |