Trusted, Bureaucrats
4,228
edits
Changes
m
Switch to the {{gna task link}} template to remove dead Gna! links.
{{lowercase title}}
{{infobox relax release| version = 1.2.10| prev = 1.2.9| next = 1.2.11| keywords = Model-free automated protocol| type = Minor bugfix| date = 12 January 2007| manual = no}} == Description ==
<section begin=description/>
<section end=description/>
== Download ==
<section begin=download/>
<section end=download/>
== CHANGES file ==
<section begin=metadata/>
<section end=metadata/>
=== Features ===
<section begin=features/>
* More advanced selection of spin systems or residues is possible through the use of the Boolean operators 'OR', 'NOR', 'AND', 'NAND', 'XOR', or 'XNOR'.
* Addition of a sample script for the creation a LaTeX longtable of the model-free results.
* The rows of the model-free and reduced spectral density results files are no longer truncated for deselected spin systems, hence all data is now stored in the results file. ([https://gna.org/bugs/?8059 see bug #8059])
<section end=features/>
=== Changes ===
<section begin=changes/>
* The [http://www.nmr-relax.com/manual/The_divisions_of_relax_s_source_code.html relax core design diagram in the development chapter of the manual ] has been updated.
* Three flow diagrams have been added to the relax manual detailing the steps of different model-free analysis protocols.
* Spin systems are now identified when deselected by the '[http://www.nmr-relax.com/manual/eliminate.html eliminate()' user function].
* The model-free Molmol cutoff for fast and slow motions has been changed from 100 to 200 ps.
* For the clarification of [https://gna.org/bugs/?8059 bug #8059 ] a [http://www.nmr-relax.com/api/1.2/errors.RelaxErrors.RelaxNoTensorError -class.html RelaxNoTensorError] is raised instead of returning None when no diffusion tensor data is present.* The Scons target 'source_dist' now creates and GPG signs both the 'tar.bz2' and 'zip' source distribution packages. ({{gna task link|4087|text=see task #4087}})
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
* The [[C|C modules ]] can now be compiled on Mac OS X. ([https://gna.org/bugs/?7670 see bug #7670])* The order of the proton and heteronucleus dimensions and number of header lines in the XEasy text file is now automatically detected. ([https://gna.org/bugs/?7676 see bug #7676])* The 'full_analysis.py' script now throws a RelaxError if only one round of optimisation of the global model has been executed. ([https://gna.org/bugs/?7787 see bug #7787])* The model selection of the global model in the 'full_analysis.py' script has been fixed. ([https://gna.org/bugs/?7863 see bug #7863])* Monte Carlo simulations no longer fail if the local tm τ<sub>m</sub> global model has been selected in the 'full_analysis.py' script. ([https://gna.org/bugs/?7875 see bug #7875])* The Monte Carlo simulation data in the model-free results file is now correctly read back into the program. ([https://gna.org/bugs/?7755 see bug #7755])* The Monte Carlo simulation state used to be turned on after reading a results file containing simulations. ([https://gna.org/bugs/?7890 see bug #7890])* After reading model-free results files, model selection would fail as the heteronucleus and proton data structures did not exist. ([https://gna.org/bugs/?7891 see bug #7891])* The model-free Molmol fast correlation time macro (te τ<sub>e</sub> < 100 ps and tfτ<sub>f</sub>) no longer sets the bond length to zero when no parameter is present.* The docstring fetching Scons target no longer fails. ([https://gna.org/bugs/?8182 see bug #8182])* The model-free 'S2 S<sup>2</sup> difference stored in a new run' test of the test suite now passes. ([https://gna.org/bugs/?8183 see bug #8183])* The 'source_dist' Scons target now works on MS Windows. ([https://gna.org/bugs/?7678 see bug #7678])* The MS Windows BAT file execution failure "python: can't open file 'C:\Program': [Errno 2] No such file or directory" has been fixed. ([https://gna.org/bugs/?8201 see bug #8201])* The reading in of the results files from relax versions [[relax 1.2.0|1.2.0 ]] to [[relax 1.2.9|1.2.9 ]] in which deselected spin system lines are truncated now works. ([https://gna.org/bugs/?8248 see bug #8248])
<section end=bugfixes/>
= References = Links ==
<section startbegin=referenceslinks/>* [*d'Auvergne and GooleyFor reference, 2007] d'Auvergne, E. J. and Gooley, P. R. (2007). Set theory formulation the following links are also part of the model-free problem and the diffusion seeded model-free paradigm. ''Mol. BioSyst.'', '''3'''(7), 483–494. (DOIannouncement for this release: * [http://dxwiki.doinmr-relax.orgcom/Relax_1.2.10Official release notes]* {{gna link|url=gna.1039org/b702202f 10.1039forum/b702202f)forum.php?forum_id=1454|text=Gna! news item}}* [*d'Auvergne and Gooley, 2008b] d'Auvergne, Ehttp://article.gmane. Jorg/gmane. and Gooley, Pscience. Rnmr. (2008)relax. Optimisation of NMR dynamic models IIannounce/15 Gmane]* [http://www. A new methodology for the dual optimisation of the modelmail-free parameters and the Brownian rotational diffusion tensorarchive. ''Jcom/relax-announce%40gna. Biomolorg/msg00007. NMR'', '''40'''(2), 121-133. (DOI: html Mail archive]* [httphttps://dxmail.doigna.org/10.1007public/s10858relax-007announce/2007-9213-3 1001/msg00000.html Local archives]* [http://marc.1007info/s10858?l=relax-007-9213-3announce&m=135070664524998&w=2 MARC]).<section end=references/><HarvardReferences links/>
== Announcements ==
{{:relax release announcements}}
== References == * [*d'Auvergne and Gooley, 2007] {{#lst:Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 2008b] {{#lst:Citations|dAuvergneGooley08b}}<HarvardReferences /> == See also ==
* [http://www.nmr-relax.com/api/1.2/ The relax 1.2 API documentation]
{{:relax release see also}}
[[Category:Model-free analysis]]