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Commit Date  
[r27335] by bugman

Updated the relax version number to 3.3.5 on the http://www.nmr-relax.com/api/index.html webpage.

2015-01-27 16:58:34 Tree
[r27334] by bugman

Updated the relax API documentation at http://www.nmr-relax.com/api/3.3/ to version 3.3.5.

2015-01-27 16:52:52 Tree
[r27333] by bugman

Updated the relax HTML manual at http://www.nmr-relax.com/manual/index.html to version 3.3.5.

2015-01-27 16:40:07 Tree
[r27332] by bugman

Updated the http://www.nmr-relax.com/download.html webpage for relax 3.3.5.

2015-01-27 16:29:09 Tree
[r27331] by bugman

Backported the relax 3.3.5 CHANGES file changes to trunk.

The command used was:
svn merge -r27329:27330 svn+ssh://bugman@.../svn/relax/tags/3.3.5 .

2015-01-27 14:58:24 Tree
[r27330] by bugman

Updated the CHANGES file for relax 3.3.5.

2015-01-27 14:56:51 Tree
[r27329] by bugman

Introduced the nested_params_ave_dom_pos argument to the frame order auto-analysis.

This allows the average domain position to be set to no rotations and translations rather than
taking the average position from the rotor or free-rotor model. This can be useful when large
motions are present causing the rigid model to have unreasonable domain positions.

2015-01-27 14:00:53 Tree
[r27328] by bugman

Added the relax 3.3.5 PDF manual to the repository.

2015-01-27 10:52:43 Tree
[r27327] by bugman

Updated the version number to relax 3.3.5.

2015-01-27 10:41:29 Tree
[r27326] by bugman

relax version 3.3.5.

This is a major feature and bugfix release. It fixes an important bug in the Monte Carlo simulation
error analysis in the relaxation dispersion analysis. Features include improvements to the NMR
spectral noise error analysis, expansion of the grace.write user function to handle both first and
last point normalisation for reasonable R1 curves in saturation recovery experiments, the
implementation of Needleman-Wunsch pairwise sequence alignment algorithm using the BLOSUM62, PAM250
and NUC 4.4 substitution matrices for more advanced 3D structural alignments via the structure.align
and structure.superimpose user functions as well as any of the other structure user functions
dealing with multiple molecules, expansion of the structure.rmsd user function to allow the RMSD to
be calculated between different molecules rather than just models, expansion of the
structure.find_pivot user function to allow it to operate on different molecules, conversion of the
structure.displacement, structure.rmsd, structure.superimpose and structure.web_of_motion user
functions to a new pipes/models/molecules/atom_id design to allow the user functions to operate on
different data pipes, different structural models and different molecules, addition of the
displace_id argument to the structure.align and structure.superimpose user functions to allow finer
control over which atoms are translated and rotated by the algorithm, large improvement for the PDB
molecule identification code affecting the structure.read_pdb user function, creation of the
lib.plotting package for assembling all of the data plotting capabilities of relax, implementation
of the new structure.atomic_fluctuations user function for creating text output or Gnuplot graphs of
the correlation matrix of interatomic distance, angle or parallax shift fluctuations, the
implementation of ordinary least squares fitting, and improvements for the pcs.corr_plot and
rdc.corr_plot user functions.

2015-01-27 10:39:42 Tree
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