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Changes

Relax 1.3.5

390 bytes added, 17:29, 20 September 2014
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* Fix for the spin.number() user function, the number can be None to reset the values.
* Fix for the script() user function, the function intro flag at the end of executing an external script was not being restored.
* Improvements to the optimisation tests ([https://gna.org/bugs/?14173 bug #14173], [https://gna.org/bugs/?14174 bug #14174], [https://gna.org/bugs/?14175 bug #14175], [https://gna.org/bugs/?14176 bug #14176], [https://gna.org/bugs/?14177 bug #14177], [https://gna.org/bugs/?14182 bug #14182]).
* Fix for the R_euler_zyz() rotation matrix function.
* Fix for the R_to_axis_angle() rotation matrix function.
* Fix for the test suite, the temporary files were not always deleted if a .bz2 extension was added.
* Fix for the reading of Xplor NOE data when a line starts with '#'.
* Fix for [https://gna.org/bugs/?14428 the Dasha and Modelfree interfaces for when spins have too little data (bug #14428)].
* Fixes for the RDC and PCS read() functions, the alignment tensor ID had the same variable name as the spin ID.
* Fixed the PDF manual compilation ([https://gna.org/bugs/?14464 bug #14464]).
* Fix for the retrieval of bond vectors for the N-state model.
* Fixes for the dx.map() user function interface.
* Epydoc docstring fixes.
* Fix for when [https://gna.org/bugs/?14872 the selection string (i.e. spin_id) is unicode (bug #14872)].
* Fix for the PCS back calculation for when no weights are given.
* The last weight in the'fixed' and 'population' N-state models, if supplied, was being converted to zero (1 - sum(weights)) hence the last state/structure was not being included.
* Added the missing user functions in the mf_multimodel.py sample script ([https://gna.org/bugs/?14885 bug #14885]).* Fix for the Monte Carlo simulations in the full_analysis.py script ([https://gna.org/bugs/?14941 bug #14941]).* Fix for optimisation of models tm4 to tm8 in the mf_multimodel sample script when over-fitting occurs ([https://gna.org/bugs/?15050 bug #15050]).
* Removed the beta angle folding from the frame order module as it was failing.
* Fix and updates to the generic_fns.angles.wrap_angles() function.
* Fix for the internal structural object PDB writing - the TER records are between the ATOM and HETATM records.
* Fixed a final model-free analysis failure in the d'Auvergne protocol, the auto-analysis behind the full_analysis.py script[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b] ([https://gna.org/bugs/?15874 bug #15874]).
* Fixes for the N-state model when RDC or PCS data is missing.
* Fixed the Q-factor calculating functions to handle missing RDC or PCS lists.
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