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SVN archive Commit Log


Commit Date  
[r13165] by han87

Debugging the user function load_spins() and add_item().

In the function load_spins() in generic_fns/structure/main.py a parameter 'res_num_exist' was added to check whether in the structural data the residue number exists or not. Normally in the pdb file there is a residue number and in the xyz file not. And then this parameter was used as a flag in the add_item() to avoid the Error message 'RelaxError("The residue number '" + repr(res_num) + "' already exists in the sequence.")' in case for xyz file when residue number does not exist.

2011-06-22 15:11:05 Tree
[r13164] by han87

Debugging in the system_test test_read_xyz_internal2().

In the function to load a single spin, the sign for recognizing the molecule "#" was added and the second atom was loaded instead of loading all C atoms.

2011-06-22 14:17:25 Tree
[r13163] by han87

Debugging the user function fill_object_from_xyz()..

In the user function fill_object_from_xyz() in generic_fns/structure/internal.py the initialisation of the atom number was changed from 0 to 1.

2011-06-22 14:15:11 Tree
[r13162] by han87

Debugging in the system_test test_read_xyz_internal2().

In the function to load a single spin, the sign for recognizing the molecule "#" was added and the second atom was loaded instead of loading all C atoms.

2011-06-22 14:11:25 Tree
[r13161] by bugman

Removed an incorrect comment.

2011-06-22 13:05:09 Tree
[r13160] by bugman

The R1 and R2 analysis buttons in the new analysis wizard now display the new graphics.

2011-06-22 10:21:11 Tree
[r13159] by bugman

Added graphics for the R2 analysis.

2011-06-22 10:18:56 Tree
[r13158] by bugman

Added graphics for R1 relaxation.

2011-06-22 09:26:43 Tree
[r13157] by bugman

Created an SVG version of the model-free graphic, adding a model-free C(tau) vs tau curve.

2011-06-22 07:44:00 Tree
[r13156] by bugman

The new analysis wizard now includes the model-free graphics in the buttons.

2011-06-22 07:23:52 Tree
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