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Revision as of 21:20, 20 September 2020

Welcome to the relax Wiki.
The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data.
Quick Links
Table of contents Tutorials Commands
FAQ relax releases All Categories
Read the manual and get help

User contributions - How to edit pages at the wiki

Please read the guidelines here.

What's new?

News & Updates
Migration to SourceForge After the Gna! shutdown at the start of 2017, relax has finally in 2019 been fully migrated to the SourceForge infrastructure.
Gna! is permanently shut down! A migration to another open source infrastructure is planned. This will include web hosting for http://www.nmr-relax.com, source code repositories, bug and other trackers, new reports, download pages, and possible a svn to git conversion.
Tutorial added Tutorial for sorting data stored as numpy to on-resonance R1rho analysis
Version 4 of relax With the latest relax release merging in years of developments in the frame order analysis, the major number has been incremented to relax 4.
Tutorial added Tutorial for manual regarding the relaxation dispersion auto-analysis in the GUI
Tutorial added Tutorial for R1/R2 Relaxation curve-fitting analysis on varian recorded as fid interleaved
Matplotlib example added Matplotlib example
Tutorial added Relaxation dispersion analysis R1_rho recorded on varian
Tutorial added Relaxation dispersion analysis cpmg fixed time recorded on varian as fid interleaved
Tutorial added Adding relaxation dispersion models to relax
wiki namespace changed The wiki is now placed at: http://wiki.nmr-relax.com as of 19 of July 2013
GPL License The License has been changed to GPL v3.
New Wiki This is the new wiki
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Setting up relax on Beagle2

See

  1. http://thread.gmane.org/gmane.science.nmr.relax.user/1821
  2. http://beagle.ci.uchicago.edu/using-beagle/

<source lang="text"> We got the modelfree analysis running on the Cray computer with a bunch of help from the staff there. We basically called in the correct versions of python, scipy, numpy and mpi4py and also implemented a virtual environment to run the relax program in. We believe that the virtualenv is necessary because of the architecture of the Cray, and might not be needed for a small cluster.

Below is the commands we used to do this, and the submission script that we have to use for our queue. The specific paths to the modules will be spcific to your system, of course.

We run the local_tm script first, then sphere, prolate, oblate and ellipsoid in ..→

Random screenshots
relax starting interface
The analysis selection wizard
Steady-state NOE analysis
R1 analysis
R2 analysis
Model-free analysis
The relax controller
Spin viewer window
Results viewer window
Pipe editor window
relax prompt window
About GUI screen
About relax screen