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SVN archive Commit Log


Commit Date  
[r8988] by bugman

Allowed vectors() to generate vectors even if the spin numbers are different (for different PDBs).

2009-03-20 16:35:00 Tree
[r8987] by bugman

Bug fix for the results reading from_xml() method.

The molecule name was being evaluated?!?

2009-03-20 15:55:06 Tree
[r8986] by bugman

Removed a check disallowing multiple NOE data sets at the same spectrometer frequency.

2009-03-20 14:39:45 Tree
[r8985] by bugman

Comment fix - missing data and error column args.

2009-03-20 14:28:37 Tree
[r8984] by bugman

Fixed a bad apostrophe character causing the script to fail.

2009-03-20 14:22:14 Tree
[r8983] by bugman

RMSD of baseplane noise is now scaled by NC_proc.

2009-03-20 10:28:13 Tree
[r8982] by bugman

Added the Bruker ncproc parameter to handle Topspin's integer scaling of FID intensities.

The data is now internally scaled by 2**ncproc.

2009-03-20 08:49:03 Tree
[r8981] by bugman

Bug fix!

Debugged intensity_sparky() to handle a Sparky assignment such as '004N-H'.

2009-03-18 14:48:09 Tree
[r8980] by semor

Changed units of model-free parameters in the test suite results file according to r8977.

ns -> seconds
ps -> seconds
Angstrom -> meters
x MHz -> sigma_ex = Rex / omega**2
ppm -> unitless

The bzipped file was changed directly with vim. The system tests now pass without error,

2009-03-16 18:59:34 Tree
[r8979] by semor

Fix for bug 13032: Bug in structure.create diff tensor pdb

The Dz unit in dependency_generator() were erroneous, inputing 'alpha' and 'beta' instead of 'beta' and 'gamma'.

This had the effect of creating a weird shaped ellipsoid diffusion tensor representation when 'alpha' and 'beta' were set to unequal values.

This is now fixed, yielding properly shaped diffusion tensor representations for any angles 'alpha', beta' and 'gamma'.

2009-03-16 18:52:15 Tree
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