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Changes

Relax 1.3.6

376 bytes added, 17:23, 20 September 2014
More user function HTML manual links.
* 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.
* 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.
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