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Relax 1.3.4

273 bytes added, 20:08, 10 September 2014
Addition of labelled section transclusion tags.
= Description =
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This is a major feature release featuring innumerous changes and bugfixes. New features include support for spin containers for psuedo atoms, NOE distance restraints, improved structure handling with multiple molecules and multiple models, the N-state model with equal and fixed probabilities, handling of the Bruker ncproc parameter, return of hybridisation, return of MOLMOL macros for illustrating model-free parameters, and initial support for the new Frame Order theories.
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= Download =
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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).
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= CHANGES file =
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Version 1.3.4
(12 August 2009, from /1.3)
http://svn.gna.org/svn/relax/tags/1.3.4
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== Features ==
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* The file format of [http://www.nmr-relax.com/manual/spectrum_read_intensities.html peak intensity lists] is now automatically detected (supporting Sparky, XEasy and NMRView).
* Initial support for a [http://www.nmr-relax.com/manual/spectrum_read_intensities.html generically formatted peak intensity file] (note, this is not yet usable).
* Initial support for the new Frame Order theories, using the isotropic cone model for RDC data of domain dynamics.
* MOLMOL macro support for plotting model-free parameter values onto the structure has returned.
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== Changes ==
<section begin=changes/>
* The XH bond vector distribution PDB and Pymol representation is now restored.
* The new user function class 'spectrum' contains all functions associated with spectral data.
* Removed a check for the presence of the alignment tensor so that align_tensor.init() can be used to reset the tensor values.
* Created the six transpose functions for rank-4, 3D tensors in maths_fns.kronecker_product.transpose_ij().
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== Bugfixes ==
<section begin=bugfixes/>
* A bug in the Monte Carlo simulations for relaxation curve-fitting has been fixed (bug #12670).
* Fixes for the Pymol PDB file opening and pymol.cartoon() user function.
* relax and the sample scripts are more compatible with non-Unix operating systems by using the Python os.sep and os.pardir rather than '/' and '..' for directory separators and the parent directory.
* Caught a NaN problem in the N-state model, RDC Q factor code causing failures in MS Windows.
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= See also =
[[Category:Release_Notes]]
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