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專案描述

relax is a program designed for the study of the dynamics of proteins and other macromolecules though the analysis of experimental NMR data. 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 (or ensemble analysis) and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion.

System Requirements

System requirement is not defined
Information regarding Project Releases and Project Resources. Note that the information here is a quote from Freecode.com page, and the downloads themselves may not be hosted on OSDN.

2011-08-13 06:34
1.3.11

This is a major feature release, and all users are recommend to upgrade. The major features include the integration of relax and the BMRB via the reading and writing of the BMRB NMR-STAR format files for model-free analyses, support for reading the XYZ 3D structure files used in organic chemistry, significant GUI improvements, and better support for the Bruker Protein Dynamics Centre (PDC) files. In addition a large number of bugs have been resolved. All together, this is a large release consisting of just under 2000 individual changes.
標籤: major feature release, Major bugfixes

2011-02-19 07:30
1.3.10.

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.
標籤: Major feature enhancements, Minor bugfixes

2011-01-27 18:03
1.3.9

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).
標籤: major feature addition

2011-01-21 07:29
1.3.8

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.

2011-01-11 07:01
1.3.7

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.
標籤: Major bugfixes

Project Resources

Project Page 下載: Bugtracker 下載: bzip2 首頁 下載: zip