relax 1.2.8

Description

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.

Download

The new relax versions can be downloaded from http://www.nmr-relax.com/download.html. 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 (described in section 3.6 of the relax manual, http://www.nmr-relax.com/manual/relax_distribution_archives.html).

CHANGES file

Version 1.2.8 (4 November 2006, from /1.2) http://svn.gna.org/svn/relax/tags/1.2.8

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)

Announcements

If you would like to receive announcements about new relax versions, please subscribe to the relax announcement mailing list. This list only receives ~10 emails per year. It is archived at the SourceForge archives and in The Mail Archive.