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[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
[r8117] by semor

Reverted revisions 8096 and 8097.

The command used was:
svn merge -r8097:8095 .

This follows a discussion started by Edward d'Auvergne at:
https://mail.gna.org/public/relax-users/2008-12/msg00000.html
(Message ID: 7f080ed10812030146w7e73ce24r75d32121e5f1c05f@...)

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
missing.

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
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
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