relax is a program designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation experiments. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, and the investigation of stereochemistry.
|Tags||Scientific Analysis Model-free RMSD R1 R2 NOE Frame order NMR relaxation data|
|Operating Systems||OS Independent|
Release Notes: This is a minor feature release. Improvements include the creation of Rex value files scaled to all spectrometer frequencies for the model-free auto-analysis and some new capabilities in the structural API.
Release Notes: System and unit test bugs in the Mac OS X application have been eliminated, the RMSD related functions for systems with old Numpy versions have been fixed, the system information printout when the relax path contains spaces now works, Python 3 fixes have been made throughout, problems with the last steps of the model-free auto-analysis under certain conditions have been resolved, and the value.write and value.display user functions no longer present a list of zero values when very small number are encountered (e.g. the field-strength independent Rex values from a model-free analysis).
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.
Release Notes: This is a minor bugfix release that resolves an important issue, introduced somewhere within the last few relax releases, whereby missing relaxation data is not handled properly in a model-free analysis. A number of other small bugs have also been fixed.
Release Notes: This release solved a number of issues, including Python 3 issues, PDB and structure handling, and missing relaxation data causing model-free analyses to fail. Upgrading to this newest version is highly recommended.