Projects / relax / Releases

All releases of relax

  •  18 Feb 2011 16:39
Avatar

    Release Notes: This is a major feature release that introduces support from reading Bruker Protein Dynamics Centre (PDC) files. It also fixes a bug in the N-state model Q factor values when run in combination with Monte Carlo simulations for error analysis.

    •  27 Jan 2011 08:04
    Avatar

      Release Notes: This is a major feature release which introduces a new graphical user interface. This GUI provides easy access to a subset of relax's features - the R1 and R2 relaxation rate curve-fitting, NOE calculations, and the fully automatic model-free analysis of the dauvergne_protocol module (d'Auvergne and Gooley, 2008, JBNMR, 40, 121).

      •  20 Jan 2011 17:53
      Avatar

        Release Notes: This is a minor bugfix release in preparation for the impending merger of relaxGUI. New features include a sample script for creating CSV files from model-free results for import into spreadsheet programs, extensive system testing of all model-free models, fixes for a system test on 32-bit GNU/Linux, and a fix for running scripts with certain versions of Python.

        •  10 Jan 2011 17:03
        Avatar

          Release Notes: This is a major bugfix release: all model-free users of relax version 1.3.6 must upgrade to this version. The fatal bug is that the prolate diffusion tensor, when initialized with Da set to zero, will be converted to an oblate tensor. Other bugs fixed include support for volume integration together with replicated spectra, the scipy dependency now being optional, 32-bit GNU/Linux test suite fixes, and better support for the reading of old version 1.2.x results files. An additional feature is that the relax packages/modules can now be imported and used outside of relax.

          •  31 Dec 2010 12:07
          Avatar

            Release Notes: This is a major feature release which includes many bug fixes and a security fix. Major additions include the addition of 9 new frame order models, execution locking, support for CCPN Analysis 2.1 peak lists, Monte Carlo simulations for the N-state model, optimisation of the Ln3+ position in the N-state model, weighting of RDCs and PCSs during optimisation, and no longer using execfile() closing a security hole.

            •  12 Jun 2010 17:32
            Avatar

              Release Notes: This is a major feature and bug fix release with close to 2000 code changes. New features include the ability to determine the stereochemistry of flexible organic molecules, expansion of the frame order theory, better support for RDCs and PCSs, 2D Grace plot improvements, and many new rotation_matrix module conversion functions.

              •  14 Aug 2009 08:47
              Avatar

                Release Notes: This is a major feature release featuring numerous 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 hybridization, return of MOLMOL macros for illustrating model-free parameters, and initial support for the new Frame Order theories.

                •  29 Nov 2008 20:00
                Avatar

                  Release Notes: Support has returned for the programs Dasha, Modelfree, and OpenDX. XEasy and NMRView peak lists can now be read. Some very important bugs that have been fixed include faulty error analysis when performing relaxation curve-fitting, results.write() failure, model selection failure if spins were deselected, diffusion tensor optimization failure, and internal PDB reader problems.

                  •  29 Nov 2008 19:12
                  Avatar

                    Release Notes: This is a very minor bugfix release that solves issues with the value.write() user function and with error analysis when performing relaxation curve-fitting.

                    •  12 Oct 2008 21:13
                    Avatar

                      Release Notes: This release solves many major bugs in the final stages of model-free analysis, especially when using the 'full_analysis.py' script. It also marks the return of the NOE analysis. Bugs that have been resolved include problems reading PDB files, a failure of the value.set(), fix(), and value.write() user functions, non-functional model elimination, model selection issues in certain situations, and various Monte Carlo simulation issues.

                      Screenshot

                      Project Spotlight

                      episoder

                      A tool to tell you about new episodes of your favourite TV shows.

                      Screenshot

                      Project Spotlight

                      BalanceNG

                      A modern software IP load balancer.