Menu

SVN archive Commit Log


Commit Date  
[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
[r8104] by bugman

Added the missing spin_loop() import.

2008-12-03 19:36:17 Tree
[r8103] by bugman

Added a system test for the creation of an XH bond vector distribution.

This test mimics the script used to create figure 7.8 of my PhD thesis
(http://eprints.infodiv.unimelb.edu.au/archive/00002799/).

2008-12-03 19:32:48 Tree
[r8102] by bugman

Fix for bug #12670 (https://gna.org/bugs/index.php?12670).

This bug was reported by Michael Funk (mifu att nmr dot mpibpc dot mpg dot de).

The problem was that the relaxation curve-fitting return_error() method was returning the global
cdp.sigma_I error structure - which does not exist for all error types - when it should have been
returning the spin specific error structure.

2008-12-03 13:27:06 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.