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<onlyinclude>This is a major bugfix and feature release. Support for the programs Dasha, Modelfree and OpenDX has returned and XEasy and NMRView peak lists can now be read. Upgrading to this version is highly recommended as it fixes a number of very important bugs. Some of these are include faulty error analysis when performing relaxation curve-fitting, [http://www.nmr-relax.com/manual/results_write.html results.write] failure, model selection failure if spins were deselected, diffusion tensor optimisation failure, and internal PDB reader problems.</onlyinclude>== Description ==
Converted Dasha, OpenDX, Modelfree, NMRView, XEasy to be internal links.
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{{infobox relax release| version = Description 1.3.3| prev =1.3.2| next = 1.3.4| keywords = [[DASHA]], [[OpenDX]], [[Modelfree4]], [[NMRView]], [[XEasy]]| type = Major feature and bugfix| date = 10 December 2013| manual = yes}}
<section begin= Download description/>This is a major bugfix and feature release. Support for the programs [[Dasha]], [[Modelfree4]] and [[OpenDX]] has returned and [[XEasy]] and [[NMRView]] peak lists can now be read. Upgrading to this version is highly recommended as it fixes a number of very important bugs. Some of these are include faulty error analysis when performing relaxation curve-fitting, [http://www.nmr-relax.com/manual/results_write.html results.write] failure, model selection failure if spins were deselected, diffusion tensor optimisation failure, and internal PDB reader problems.<section end=description/>
== Download ==
<section begin=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).
<section end=download/>
== CHANGES file ==
<section begin= CHANGES file =metadata/>Version 1.3.3<br/>(29 November 2008, from /1.3)<br/>
http://svn.gna.org/svn/relax/tags/1.3.3
<section end=metadata/>
=== Features ===
<section begin=features/>* [http://www.nmr-relax.com/manual/dasha_execute.html Dasha can be run ] from within relax again.* [http://www.nmr-relax.com/manual/palmer_execute.html Art Palmer's Modelfree can be run ] from within relax again.* [http://www.nmr-relax.com/manual/dx_execute.html OpenDX execution and control ] is once again supported.* [http://www.nmr-relax.com/manual/spectrum_read_intensities.html NMRView peak lists ] are now supported.* [http://www.nmr-relax.com/manual/spectrum_read_intensities.html XEasy peak lists ] are again supported.<section end=features/>
=== Changes ===
<section begin=changes/>
* Internal relax cleanups by the addition of the specific model_loop() method - this should eliminate a series of potential hidden bugs.
* The [http://www.nmr-relax.com/manual/results_write.html results.write() ] and [http://www.nmr-relax.com/manual/results_display.html results.display() ] now only support XML output.
* More information is now extracted from the Modelfree mfout files.
* The version of the Modelfree program is checked and if it is an old, buggy version, relax will refuse to execute it.
* The system tests can now handle the sometimes large differences in Modelfree results between the GNU gcc and Portland C compiler versions.
* Fixes and improvements to much of the API documentation.
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
* A failure of the minimisation set() function has been fixed.
* The [http://www.nmr-relax.com/manual/reset.html reset() user function ] now works again.
* Fixes to the relax data store methods add(), to_xml() and from_xml().
* Many fixes for the support of Art Palmer's Modelfree program.
* The mapping of the global parameter space (diffusion tensor, etc.) for visualisation in OpenDX has been fixed.
* [http://www.nmr-relax.com/manual/state_save.html state.save() ] no longer fails after running [http://www.nmr-relax.com/manual/state_load.html state.load] () ([https://gna.org/bugs/?12437 bug #12437]).* Sparky peak lists with the assignment '?-?' are now handled properly ([https://gna.org/bugs/?11913 bug #11913]).* Error analysis in relaxation curve-fitting was incorrectly implemented with standard deviation rather than variance averaging ([https://gna.org/bugs/?12456 bug #12456]).
* A number of fixes for the LaTeX table generating sample script.
* Fixes for the teeing and logging via the -l and -t command line arguments ([https://gna.org/bugs/?12489 bug #12489]).* Fix for when XH bond vector data from a PDB file is missing for a spin system ([https://gna.org/bugs/?12487 bug #12487]).
* Many fixes for when structural data is missing.
* The relax script is no longer overwritten if the log or tee file is not specified on the command line ([https://gna.org/bugs/?12498 bug #12498]).* Missing RelaxError failure in the sequence handling code (found when trying to solve [https://gna.org/bugs/?12582 bug #12582]).* A failure in the [http://www.nmr-relax.com/manual/results_write.html results.write() user function ] has been fixed ([https://gna.org/bugs/?12582 bug #12582]).
* Model selection no longer fails if no model is ever selected.
* Model selection was failing if spins were deselected ([https://gna.org/bugs/?12591 bug #12591]).* The directory name can now be part of the file name argument to [http://www.nmr-relax.com/manual/results_read.html results.read] () ([https://gna.org/bugs/?12588 bug #12588]).* Optimisation of only the diffusion tensor after calling [http://www.nmr-relax.com/manual/fix.html fix() ] was failing if some spins were deselected ([https://gna.org/bugs/?12607 bug #12607]).* The internal PDB reader was failing when the PDB file contained CONECT records ([https://gna.org/bugs/?12637 bug #12637]).<section end=bugfixes/> == Links == <section begin=links/>For reference, the following links are also part of the announcement for this release:* [http://wiki.nmr-relax.com/Relax_1.3.3 Official release notes]* [https://gna.org/forum/forum.php?forum_id=2003 Gna! news item]* [http://article.gmane.org/gmane.science.nmr.relax.announce/23 Gmane]* [http://www.mail-archive.com/relax-announce%40gna.org/msg00015.html Mail archive]* [https://mail.gna.org/public/relax-announce/2008-11/msg00000.html Local archives]* [http://marc.info/?l=relax-announce&m=135070664625006&w=2 MARC]<section end=links/> == Announcements =={{:relax release announcements}}
== See also ==
* [http://www.nmr-relax.com/api/1.3/ The relax 1.3 API documentation]{{:relax release see also}}[[Category:Release_NotesModel-free analysis]]
