Changes

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 [http://www.nmr-relax.com/manual/grace_write.html 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 [http://www.nmr-relax.com/manual/structure_align.html structure.align] and [http://www.nmr-relax.com/manual/structure_superimpose.html structure.superimpose] user functions as well as any of the other structure user functions dealing with multiple molecules, expansion conversion of the [http://www.nmr-relax.com/manual/structure_rmsdstructure_displacement.html structure.rmsd user functiondisplacement] to allow the RMSD to be calculated between different molecules rather than just models, expansion of the [http://www.nmr-relax.com/manual/structure_find_pivot.html structure.find_pivot user function] to allow it to operate on different molecules, conversion of the [http://www.nmr-relax.com/manual/structure_displacement.html structure.displacement], [http://www.nmr-relax.com/manual/structure_rmsd.html structure.rmsd], [http://www.nmr-relax.com/manual/structure_superimpose.html structure.superimpose] and [http://www.nmr-relax.com/manual/structure_web_of_motion.html 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 [http://www.nmr-relax.com/manual/structure_align.html structure.align] and [http://www.nmr-relax.com/manual/structure_superimpose.html 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 [http://www.nmr-relax.com/manual/structure_read_pdb.html 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 [http://www.nmr-relax.com/manual/structure_atomic_fluctuations.html 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 [http://www.nmr-relax.com/manual/pcs_corr_plot.html pcs.corr_plot] and [http://www.nmr-relax.com/manual/rdc_corr_plot.html rdc.corr_plot] user functions.