Trusted, Bureaucrats
4,223
edits
Changes
m
<section start=references/>* [*d'Auvergne and Gooley, 2007] d'Auvergne, E. J. and Gooley, P. R. (2007). Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. ''Mol. BioSyst.'', '''3'''(7), 483–494. (DOI: [http{{#lst://dx.doi.org/10.1039/b702202f 10.1039/b702202f]).Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 2008b] d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ''J. Biomol. NMR'', '''40'''(2), 121-133. (DOI: [http{{#lst://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).<section end=references/>Citations|dAuvergneGooley08b}}
{{lowercase title}}
{{infobox relax release| version = 1.3.6| prev = 1.3.5| next = 1.3.7| type = Major feature| date = 31 December 2010| manual = yes}} == 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/>
* Addition of [https://{{gna link|url=gna.org/users/michaelbieri |text=Michael Bieri's] }} model-free data extraction script.
* Added support for CCPN Analysis 2.1 peak lists (exported in Sparky format).
* Execution locking has been implemented to prevent threaded execution from killing relax. This will be useful for the relax GUI.
<section end=features/>
=== Changes ===
<section begin=changes/>
* Created a new directory 'graphics' for all relax artwork.
* The [http://www.nmr-relax.com/manual/structure_load_spins.html structure.load_spins user function] now gives a RelaxWarning if no data could be found.
* The negative cones and z-axes are now not created for the pseudo-ellipses in [http://www.nmr-relax.com/manual/frame_order_cone_pdb.html frame_order.cone_pdb()].* Added some transparency to the cone in [http://www.nmr-relax.com/manual/pymol_cone_pdb.html pymol.cone_pdb()].
* Modified the [http://www.nmr-relax.com/manual/pymol_cone_pdb.html pymol.cone_pdb user function] to handle x, y, and z-axes.
* Modified create_cone_pdb() to accept a pre-made structural object and to create a file only when asked.
* Parameters can be fixed to the original values during the frame order grid search.
* The user function argument checker arg_check.is_int_or_int_list() can now allow for None list elements.
* The frame order model can be overwritten by [http://www.nmr-relax.com/manual/frame_order_select_model.html frame_order.select_model()].
* Shifted to using numpy.sinc() for the frame order equations.
* Switched the theta and phi angles in cartesian_to_spherical() to match the rest of relax.
* Inverted the x and y axes in the RDC and PCS correlation plots.
* Better support for tensor-less N-state model optimisation.
* The [http://www.nmr-relax.com/manual/align_tensor_copy.html align_tensor.copy() ] tensor_to arg can now be None, this is useful for copying between data pipes.
* Added a function for the pseudo-elliptical cosine function, this is a numerical approximation generated by series expansion.
* Added a method for translating pymol.cmd.do() commands into specific pymol.cmd functions. This prevents problems with commands being executed asynchronously. For example images were being saved before ray-tracing was complete.
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
* Fix for the NOE auto-analysis - the spins are now named to the value of the 'heteronuc' arg.
* Fix for the [http://www.nmr-relax.com/manual/frame_order_cone_pdb.html frame_order.cone_pdb user function] - the cone is already in the PDB frame, no rotation required.
* Fix for the average domain rotation in [http://www.nmr-relax.com/manual/pymol_cone_pdb.html pymol.cone_pdb()].
* Bug fix for the [http://www.nmr-relax.com/manual/frame_order_pivot.html frame_order.pivot user function] - it is now functional.
* The base contents of the relax data store are no longer saved with a call to [http://www.nmr-relax.com/manual/results_write.html results.write()].
* Fix for the [http://www.nmr-relax.com/manual/pcs_back_calc.html pcs.back_calc user function] for when multiple structures are loaded.
* Fix for [http://www.nmr-relax.com/manual/rdc_read.html rdc.read() ] when neg_g_corr is set to True and the RDC list contains entries with None.
* Fix for [https://gna.org/bugs/?13259 the failure of model elimination in the full analysis script (bug #13259)].
* Added a catch in iso_cone_S_to_theta() for bad order parameters > 1.
<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_1.3.6 Official release notes]* {{gna link|url=gna.org/forum/forum.php?forum_id=2251|text=Gna! news item}}* [http://article.gmane.org/gmane.science.nmr.relax.announce/27 Gmane]* [http://www.mail-archive.com/relax-announce%40gna.org/msg00019.html Mail archive]* [https://mail.gna.org/public/relax-announce/2011-01/msg00000.html Local archives]* [http://marc.info/?l=relax-announce&m=135070664625010&w=2 MARC]<section end=links/> == Announcements ==
{{:relax release announcements}}
== References ==
<HarvardReferences />
== See also ==
* [http://www.nmr-relax.com/api/1.3/ The relax 1.3 API documentation]
{{:relax release see also}}
[[Category:Frame order analysis]]
[[Category:N-state model analysis]]