relax version 1.2.8.

Item posted by Edward d Auvergne <bugman> on Sat 04 Nov 2006 09:46:30 AM UTC.

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)