Difference between revisions of "Relax 1.2.8"
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* Significant improvements to the SCons build system (see 'scons --help'). | * Significant improvements to the SCons build system (see 'scons --help'). | ||
* Expansion and improvement of the [http://www.nmr-relax.com/manual/relax_development.html relax development chapter]. | * Expansion and improvement of the [http://www.nmr-relax.com/manual/relax_development.html relax development chapter]. | ||
| − | * The [http://www.nmr-relax.com/manual/grace_write.html grace.write user function] works with reduced spectral density mapping. ( | + | * The [http://www.nmr-relax.com/manual/grace_write.html grace.write user function] works with reduced spectral density mapping. ({{gna task link|4002}}) |
<section end=features/> | <section end=features/> | ||
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* [http://www.nmr-relax.com/manual/Installation_on_MS_Windows.html MS Windows installation instructions have been added to the manual]. | * [http://www.nmr-relax.com/manual/Installation_on_MS_Windows.html MS Windows installation instructions have been added to the manual]. | ||
* The [http://www.nmr-relax.com/api/1.2/errors.RelaxWarnings-class.html RelaxWarning system] has been added to standardise warning messages. | * The [http://www.nmr-relax.com/api/1.2/errors.RelaxWarnings-class.html RelaxWarning system] has been added to standardise warning messages. | ||
| − | * The [http://www.nmr-relax.com/manual/test_suite.html relax manual now describes the test suite]. ( | + | * The [http://www.nmr-relax.com/manual/test_suite.html relax manual now describes the test suite]. ({{gna task link|3781}}) |
* The <sup>15</sup>N CSA values in the sample scripts are now all -172 ppm. | * The <sup>15</sup>N 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. ( | + | * The ambiguity cased by supplying the option 'None' together with Newton optimisation has been resolved in the documentation. ({{gna task link|3630}}) |
* Optimisation tests have been added to the test suite. | * Optimisation tests have been added to the test suite. | ||
<section end=changes/> | <section end=changes/> | ||
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* 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 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], | + | * 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], {{gna task link|3621}}) |
* The [http://www.nmr-relax.com/manual/NOE_script_mode_the_NOE_calculation.html σ<sub>NOE</sub> equations of Chapter 8 of the manual] have been fixed. ([https://gna.org/bugs/?7402 bug #7402]) | * The [http://www.nmr-relax.com/manual/NOE_script_mode_the_NOE_calculation.html σ<sub>NOE</sub> equations of Chapter 8 of the manual] have been fixed. ([https://gna.org/bugs/?7402 bug #7402]) | ||
* 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]) | ||
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For reference, the following links are also part of the announcement for this release: | For reference, the following links are also part of the announcement for this release: | ||
* [http://wiki.nmr-relax.com/Relax_1.2.8 Official release notes] | * [http://wiki.nmr-relax.com/Relax_1.2.8 Official release notes] | ||
| − | * | + | * {{gna link|url=gna.org/forum/forum.php?forum_id=1373|text=Gna! news item}} |
* [http://article.gmane.org/gmane.science.nmr.relax.announce/13 Gmane] | * [http://article.gmane.org/gmane.science.nmr.relax.announce/13 Gmane] | ||
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00005.html Mail archive] | * [http://www.mail-archive.com/relax-announce%40gna.org/msg00005.html Mail archive] | ||
Latest revision as of 12:22, 16 October 2020
 | |||||
| relax version 1.2.8 | |||||
| |||||
| Keywords | Model-free analysis | ||||
|---|---|---|---|---|---|
| Release type | Major bugfix | ||||
| Release date | 4 November 2006 | ||||
|
| |||||
 The relax 1.2.8 user manual | |||||
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 σNOE 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)
Links
For reference, the following links are also part of the announcement for this release:
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.
