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Welcome to the relax Wiki.
The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data.
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News & Updates
Version 5 of relax. The latest relax release now supports the new versions of wxPython (Phoenix), giving relax a more modern GUI.
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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The following describes how to convert a relax log file into a relax script.

Grep the log file for commands

First we find which commands relax has performed, and separate into the different fitting models.
We also just make some line space and important points.

Then we replace instances of relax> with empty, and comment out the model line.

Put this into a file: relax_log_to_py.sh <source lang="bash">

  1. !/bin/tcsh -f

set LOGS=`ls -v -d -1 *.log` foreach LOG ( ${LOGS} ) set BNAME=`basename $LOG .log` set OUT="grep_${BNAME}.py" egrep -wi --color 'relax>| model -' $LOG > $OUT ; sed -i "s/relax> //" $OUT ; sed -i 's/^- /\n#- /' $OUT ; sed -i 's/^minimise(/\nminimise(/' $OUT ; sed -i 's/^script(/\n#script(/' $OUT ; sed -i 's/^results.write(/\nresults.write(/' $OUT ; sed -i 's/^model_selection(/\nmodel_selection(/' $OUT ..→

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