Projects / relax / Releases / 2.2.3

Version 2.2.3 of relax

Release Notes: This release adds the new structure.add_model, structure.rmsd, and structure.web_of_motion user functions, enhances the structure.load_spins and structure.find_pivot functions, and improves and updates the PDB support for the internal structural object. The new 'lib' package, an extensive collection of functions and special objects for all types of molecular dynamics analyses, is introduced. The relax controller in the GUI has been improved with line wrapping to allow all messages to be seen. Some major bugs affecting the model-free auto-analysis and PDB file creation have been fixed.

Other releases

Release Notes: This is a minor feature and bugfix release which includes improvements to the relaxation dispersion chapter of the manual and the addition of a new infrastructure for R1rho data handling in the dispersion analysis.

Release Notes: Changes include a comprehensive tutorial added to the manual that shows the dispersion analysis in the GUI, improved PDB chain ID support, a new mode for running a relax script and then entering the prompt UI mode, multiple file reading by the spectrum.read_intensities user function, and improvements to the relaxation dispersion analysis. A number of major bugs in the dispersion analysis concerning different relaxation delay times for different experiments and for improved handling of the offset have also been fixed. A number of important GUI bugs have also been fixed.

  •  05 Feb 2014 00:38

Release Notes: This is a major bugfix release that fixes the complete failure of the NOE analysis for most users, a bug introduced in the last release. All users of 3.1.4 should upgrade to this version.

Release Notes: This is a minor feature and bugfix release which has improvements for the handling of structural data involving multiple molecules or models and improved support in the NOE analysis for replicated spectra. Included are fixes for the failure of the structure.create_diff_tensor_pdb user function for non-spherical diffusion tensors when no Monte Carlo simulations are present and for the failure of the rdc.write user function for back calculated RDC data.

  •  16 Jan 2014 23:22

Release Notes: This is a minor documentation release which includes small improvements to the relaxation dispersion analysis in the manual as well as the API documentation for the lib.dispersion package.


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