GENESIS: NMR Supersequence Generation

Generate Bruker-format pulse programmes for any NOAH supersequence you might want.

Available now at https://nmr-genesis.co.uk

Read the paper at DOI: 10.1021/acs.analchem.1c04964 (or on GitHub)

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Update 2024

Although the GENESIS website is still live at https://nmr-genesis.co.uk, the code is officially no longer maintained. (You can blame the nature of academic research for this. I am no longer working in chemistry and can't meaningfully maintain this code as I don't use it any more.)

It's very unlikely that there are still bugs: in all its years of existence, I have had at most a couple of bugs reported and all of these have been fixed. If you find a critical one, contact details are still available on the website.

Thank you so much to all of you who have used it over the years and sent in emails. It has been a great joy knowing that it has been (and perhaps even continues to be) a useful tool.

Online usage

Simply go to https://nmr-genesis.co.uk, select the modules you want to use, and download the resulting pulse programme. These are ready to use directly on spectrometers.

If you require instructions on how to set up, run, and process NOAH experiments, the website contains a very extensive FAQ.

To access a specific version of the website (say version X.Y.Z), navigate to the URL https://nmr-genesis.co.uk/X/Y/Z.

Offline usage

1. Download and install Node.js.

2. Clone this repository and navigate into it:

   git clone https://github.com/yongrenjie/genesis
   cd genesis
   

3. Run the following commands:

   npm install
   npm start
   

4. Open any web browser and navigate to http://localhost:5555/. (Port 5555 is used by default. If you want to change this, set the $PORT environment variable to a number of your choice; for example, on Unix/Linux you can run PORT=8000 npm start to launch on port 8000.)

5. (optional) If you want to access a specific version, run

   git checkout vX.Y.Z
   

   and then perform steps 3 and 4 again. You can see the full list of versions using the command git tag.

What does GENESIS stand for?

GENEration of Supersequences In Silico.

What are NMR supersequences?

Check out the original paper:

Kupče, Ē.; Claridge, T. D. W. NOAH: NMR Supersequences for Small Molecule Analysis and Structure Elucidation. Angew. Chem. Int. Ed. 2017, 56 (39), 11779–11783. DOI: 10.1002/anie.201705506.

Figures and raw data for the accompanying paper...

... are uploaded at https://github.com/yongrenjie/genesis-paper. There are more detailed instructions there.