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SVN archive Commit Log


Commit Date  
[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
the same number in the PDB file.

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
[r8109] by bugman

Bug fixes for the PyMOL cartoon() method.

As with the open_pdb() method, cartoon() was not handling the structural object correctly and was
not handling multiple structures.

2008-12-03 20:14:53 Tree
[r8108] by bugman

Bug fixes for the PyMOL open_pdb() method.

This method was not handling the structural object properly.

2008-12-03 20:10:26 Tree
[r8107] by bugman

Bug fix for the create_vector_dist() function.

A structure needed to be added to the internal structural object.

2008-12-03 20:03:02 Tree
[r8106] by bugman

Converted the symmetry flag to a bool.

2008-12-03 19:54:16 Tree
[r8105] by bugman

A number of fixes for the create_vector_dist() function.

2008-12-03 19:53:44 Tree
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