Open main menu

(Added a news item for relax 4.)
(→‎What's new?: Added an old news entry for the 5.0.0 release.)
 
(7 intermediate revisions by 2 users not shown)
Line 33: Line 33:
 
{| class="jtable" style="float: left; width: 90%;"
 
{| class="jtable" style="float: left; width: 90%;"
 
|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
 
|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
 +
! Version 5 of relax.
 +
| The [[relax 5.0.0|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 [https://sourceforge.net/p/nmr-relax/mailman/message/36580981/ 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 | Tutorial for sorting data stored as numpy to on-resonance R1rho analysis]]
 
|-
 
|-
 
! Version 4 of relax
 
! Version 4 of relax
Line 38: Line 49:
 
|-
 
|-
 
! Tutorial added
 
! Tutorial added
| [[Tutorial_for_The_relaxation_dispersion_auto-analysis_in_the_GUI | Tutorial for manual regarding The relaxation dispersion auto-analysis in the GUI]]
+
| [[Tutorial_for_the_relaxation_dispersion_auto-analysis_in_the_GUI | Tutorial for manual regarding the relaxation dispersion auto-analysis in the GUI]]
 
|-
 
|-
 
! Tutorial added
 
! Tutorial added
Line 65: Line 76:
 
|-
 
|-
 
|}
 
|}
 +
 
<!-- -->
 
<!-- -->
 
<!-- This is the random category finder -->
 
<!-- This is the random category finder -->
Line 75: Line 87:
 
<DPL>
 
<DPL>
 
namespace=
 
namespace=
category=Analysis|relax_scripts|Time_of_running|User_functions
+
category=
 
includepage=*
 
includepage=*
 
includemaxlength=850
 
includemaxlength=850
Line 82: Line 94:
 
randomcount=1
 
randomcount=1
 
mode=userformat
 
mode=userformat
addpagecounter=true
 
 
listseparators=,<h3>[[%PAGE%]]</h3>,,\n
 
listseparators=,<h3>[[%PAGE%]]</h3>,,\n
 
</DPL>
 
</DPL>

Latest revision as of 11:38, 29 September 2023

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
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
Did you know...

%PAGE%

The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for SQ CPMG-type data using 3D magnetisation vectors. The model is labelled as NS CPMG 2-site 3D full in relax.

Parameters

The NS CPMG 2-site 3D full model has the parameters {R2A0, R2B0, ..., pA, Δω, kex}.

Code

The library code: https://sourceforge.net/p/nmr-relax/code/ci/master/tree/lib/dispersion/ns_cpmg_2site_3d.py

References

The function uses an explicit matrix that contains relaxation, exchange and chemical shift terms. It does the 180deg pulses in the CPMG train. The approach of Bloch-McConnell can be found in chapter 3.1 of Palmer, A. G. Chem Rev 2004, 104, 3623-3640. This function was written, initially in MATLAB, in 2010.

This is the model of the ..→

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