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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User contributions - How to edit pages at the wiki
Please read the guidelines here.
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The ordering of the steps here is very important:
System / unit test development
- Assemble an input data set.
- A real data set can be used but, if real data is used, a second data set calculated from the equations (synthetic data) would be good for the sanity of the developer.
- Write a 'hypothetical' relax script to perform a basic analysis (this will of course not work until the steps below have been completed).
- Calculate by hand what some of the results should be.
- Add the data to the test_suite directories and create a system/unit test which runs the script and checks the hand-calculated values to machine precision (~1e-15).
Data input
- If the data is completely new and is complex, this is the hardest part.
- "User functions" need to be created to read new input data types (file or direct value ..→
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Random screenshots
The analysis selection wizard
Steady-state NOE analysis
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