Menu

SVN archive Commit Log


Commit Date  
[r11518] by bugman

Bug fix for the unpacking of results from the torsionless isotropic cone frame order model.

The optimised cone angle was being set to the order parameter in cone_s1.

2010-08-16 16:21:20 Tree
[r11517] by bugman

Fix for the pcs.back_calc() user function for when multiple structures are loaded.

2010-08-16 13:34:03 Tree
[r11516] by bugman

Fix for rdc.read() when neg_g_corr is set to True and the RDC list contains entries with None.

2010-08-15 14:07:28 Tree
[r11515] by bugman

The negative gyromagnetic ratio correction flag neg_g_corr is now available in the rdc.read() user fn.

2010-08-15 11:19:06 Tree
[r11514] by bugman

Better identification of the molecule end in the internal PDB reader.

HETATMs after a TER are now considered part of the same molecule, as they should be.

2010-08-15 11:12:02 Tree
[r11513] by bugman

The sign of the RDC can be inverted to correct for the negative 15N gyromagnetic ratio.

2010-08-15 08:54:32 Tree
[r11512] by bugman

Missing import!

2010-08-13 19:29:15 Tree
[r11511] by bugman

Added another check to iso_cone_S_to_theta() for bad order parameters.

This time the check is for order parameters less than -0.125.

2010-08-13 19:21:29 Tree
[r11510] by bugman

Implemented Monte Carlo simulations for the N-state model.

2010-08-13 10:06:14 Tree
[r11509] by bugman

Created a API common set_selected_sim() method for a single global model.

The method is called _set_selected_sim_global() and simply puts the select_sim bool list into the
cdp.

2010-08-13 07:49:18 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.