r27326 - /tags/3.3.5/ -- January 27, 2015 - 11:39

Author: bugman
Date: Tue Jan 27 11:39:42 2015
New Revision: 27326

URL: http://svn.gna.org/viewcvs/relax?rev=27326&view=rev
Log:
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.


Added:
    tags/3.3.5/
      - copied from r27325, trunk/