This release solves many major bugs in the final stages of model-free
analysis, especially when using the 'full_analysis.py' script. This
version also marks the return of the NOE analysis. If you are using
relax version 1.3.1, it is recommended that you upgrade to 1.3.2.
Bugs which have been resolved include: problems reading PDB files;
failure of the value.set(), fix() and value.write() user functions;
non-functional model elimination; model selection issues in certain
situations; and various Monte Carlo simulation issues.
The new relax versions can be downloaded from either
http://nmr-relax.com/download.html or http://download.gna.org/relax/.
If binary distributions are not yet available for your platform and
you manage to compile the binary modules, please consider contributing
these to the relax project (see section 3.6 of the relax manual for
details).
The full list of changes is:
Features:
* The NOE analysis has been converted to the new design and is
fully functional again.
Changes:
* Internal abstractions to the relax data store by using the
generic_fns.pipes API.
* Added more literature references to the 'full_analysis.py' script.
* Eliminated Monte Carlo simulations are better identified
during user function execution.
Bugfixes:
* The generation of the cone geometric object for the N-state
model is fixed.
* Fixes for the relax_curve_diff.py and latex_mf_table.py
sample scripts (identified by the relax data store abstraction).
* Fixed the reading of relax 1.2 model-free results files
(identified by the relax data store abstraction).
* Various PDB file loading issues fixed.
* value.set() no longer fails when the parameter being set
already exists (bug #12406, https://gna.org/bugs/?12406).
* Fix for the bug whereby model elimination does nothing for
model-free models. This fix may solve other model-free related issues
(bug #12407, https://gna.org/bugs/?12407).
* Model elimination no longer fails when no diffusion tensor
is loaded (bug #12408, https://gna.org/bugs/?12408).
* The error when loading the PDB file through the reading of
the results file in the 'final' stage of the 'full_analysis.py' sample
script is fixed (bug # 12409, https://gna.org/bugs/?12409).
* Model elimination is fixed in the 'full_analysis.py' script.
* The fix() user function works again when the element
argument is set to 'all'.
* Fix for the duplication of sequence data during model selection.
* Monte Carlo simulations were failing due to a missing
sequence error (bug #12410, https://gna.org/bugs/?12410).
* The model elimination error "AttributeError: 'SpinContainer'
object has no attribute 'params'." has been fixed (bug #12411,
https://gna.org/bugs/?12411).
* A missing global chi-squared value was causing failure of
global model selection (bug #12412, https://gna.org/bugs/?12412).
* Monte Carlo simulation elimination was removing the
simulation not from the affected spin but from all spins (bug #12416,
https://gna.org/bugs/?12416).
* Fix for the failure of the value.write() user function in
all analysis types (bug #12418, https://gna.org/bugs/?12418).
relax version 1.3.2.