This is a major bug fix release. A number of important bugs have been
fixed including the failure of model selection between global
diffusion models when using the local tm models (bug #7616), the
failure of model elimination when the model 'm0' is used (bug #7226),
and the failure in the reading of old model-free results files from
relax versions prior to 1.2.5 (bug #7587). Additional bug fixes are
detailed below. New features include preliminary support for RNA/DNA
data and support for the 'grace.write()' user function for reduced
spectral density mapping.
The new relax versions can be downloaded from either
http://www.nmr-relax.com/download.html or
http://download.gna.org/relax/.
The full list of changes is:
Features:
* Preliminary support for RNA/DNA. (bug #7241)
* Significant improvements to the SCons build system (see
'scons --help').
* Expansion and improvement of the relax development chapter.
* The grace.write() user function works with reduced spectral
density mapping. (task #4002)
Changes:
* MS Windows installation instructions have been added to the manual.
* The RelaxWarning system has been added to standardise
warning messages.
* The relax manual now describes the test suite. (task #3781)
* The 15N CSA values in the sample scripts are now all -172 ppm.
* The ambiguity cased by supplying the option 'None' together
with Newton optimisation has been resolved in the documentation. (task
#3630)
* Optimisation tests have been added to the test suite.
Bugfixes:
* Model selection between the global diffusion models no
longer fails if all residues of the local tm models have been
deselected by model elimination. (bug #7192)
* The 'angles.py' sample script no longer fails when residue
specific relaxation data is missing (corrupt input data). (bug #7224)
* Prior to executing Modelfree4, Dasha, Molmol, Grace, or
OpenDX, tests are run to determine if the binary exists, is
executable, and is in the system path. (bug #7225)
* Model elimination when using the model-free model 'm0' no
longer fails. (bug #7226)
* The strict checking of the Da and Dr diffusion tensor
parameters has been relaxed to allow for optimisation imprecision.
(bug #7297)
* The reading of Modelfree4 mfout results files no longer
fails when residue specific relaxation data is missing (corrupt input
data). (bug #7277)
* If optimisation returns an infinite value or a NaN value,
these are now caught and a RelaxError thrown. (bug #6503, task #3621)
* The sigma(NOE) equations of Chapter 8 of the manual have
been fixed. (bug #7402)
* Files containing relaxation data not consisting of exactly 4
columns will now be read. (bug #7583)
* Model-free results files from relax versions prior to 1.2.5
are now properly read. (bug #7587)
* Model selection between the global diffusion models does not
fail when the local tm models are included. (bug #7616)
relax version 1.2.8.