Difference between revisions of "Relax 1.2.8"
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| − | 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 | + | 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 τ<sub>m</sub> models ([https://gna.org/bugs/?7616 bug #7616]), the failure of model elimination when the model [[m0]] is used ([https://gna.org/bugs/?7226 bug #7226]), and the failure in the reading of old model-free results files from relax versions prior to [[relax 1.2.5|1.2.5]] ([https://gna.org/bugs/?7587 bug #7587]). Additional bug fixes are detailed below. New features include preliminary support for RNA/DNA data and support for the [http://www.nmr-relax.com/manual/grace_write.html grace.write user function] for reduced spectral density mapping. |
<section end=description/> | <section end=description/> | ||
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<section begin=bugfixes/> | <section begin=bugfixes/> | ||
| − | * Model selection between the global diffusion models no longer fails if all residues of the local | + | * Model selection between the global diffusion models no longer fails if all residues of the local τ<sub>m</sub> models have been deselected by model elimination. ([https://gna.org/bugs/?7192 bug #7192]) |
* The 'angles.py' sample script no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7224 bug #7224]) | * The 'angles.py' sample script no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7224 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. ([https://gna.org/bugs/?7225 bug #7225]) | * 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. ([https://gna.org/bugs/?7225 bug #7225]) | ||
* Model elimination when using the model-free model [[m0]] no longer fails. ([https://gna.org/bugs/?7226 bug #7226]) | * Model elimination when using the model-free model [[m0]] no longer fails. ([https://gna.org/bugs/?7226 bug #7226]) | ||
| − | * The strict checking of the | + | * The strict checking of the D<sub>a</sub> and D<sub>r</sub> diffusion tensor parameters has been relaxed to allow for optimisation imprecision. ([https://gna.org/bugs/?7297 bug #7297]) |
* The reading of Modelfree4 mfout results files no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7277 bug #7277]) | * The reading of Modelfree4 mfout results files no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7277 bug #7277]) | ||
* If optimisation returns an infinite value or a NaN value, these are now caught and a RelaxError thrown. ([https://gna.org/bugs/?6503 bug #6503], [https://gna.org/task/?3621 task #3621]) | * If optimisation returns an infinite value or a NaN value, these are now caught and a RelaxError thrown. ([https://gna.org/bugs/?6503 bug #6503], [https://gna.org/task/?3621 task #3621]) | ||
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* Files containing relaxation data not consisting of exactly 4 columns will now be read. ([https://gna.org/bugs/?7583 bug #7583]) | * Files containing relaxation data not consisting of exactly 4 columns will now be read. ([https://gna.org/bugs/?7583 bug #7583]) | ||
* Model-free results files from relax versions prior to 1.2.5 are now properly read. ([https://gna.org/bugs/?7587 bug #7587]) | * Model-free results files from relax versions prior to 1.2.5 are now properly read. ([https://gna.org/bugs/?7587 bug #7587]) | ||
| − | * Model selection between the global diffusion models does not fail when the local | + | * Model selection between the global diffusion models does not fail when the local τ<sub>m</sub> models are included. ([https://gna.org/bugs/?7616 bug #7616]) |
<section end=bugfixes/> | <section end=bugfixes/> | ||
Revision as of 15:59, 21 September 2014
Contents
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 τm 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 τm 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 τm 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.
See also
- The combined release notes for all relax versions (warning, this is very large).
- The combined release descriptions for all relax versions.
- The combined release metadata for all relax versions.
- The combined release features for all relax versions.
- The combined release changes for all relax versions (warning, this is very large).
- The combined release bugfixes for all relax versions.
- The combined release announcement links for all relax versions.
