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Please have a good look inside the examples directory – it is likely that a calculation of your type is already there and may be used as a template. With very non‐standard calculations, it may be a good idea to send an email to Ilya Kuprov, we are always interested in expanding the example set and would write a template for you. Likewise, if you had written something that may be of general usefulness to other people, send it to us – we would integrate it into Spinach and make sure it is preserved and maintained.

If you are using Spinach, please do not forget to cite our papers -- citation count is the primary indicator that allows us to secure the funding to keep this project going. The latest version of Spinach is available from http://spindynamics.org

Spinach Documentation

  1. Installation
  2. Spin system specification
  3. Relaxation theory parameters
  4. Chemical kinetics parameters
  5. Basis set specification
  6. Kernel functions
  7. Kernel utilities
  8. Kernel contexts
  9. Built-in experiments
  10. Import, export, and visualisation
  11. Optimal control module
  12. Hyperfine shift module
  13. Tensor train module
  14. Imaging module
  15. Neural network module
  16. Textbook module
  17. Appendix A: internal tolerances
  18. Appendix B: spin state indexing
  19. Appendix C: literature citations
  20. Appendix D: kernel data structures
  21. Appendix E: experiment parameters
  22. Appendix F: expert-level options
  23. Appendix G: SpinXML infrastructure
  24. Appendix H: Matlab object overloads
  25. Appendix I: powder grids

Getting started guides

  1. Simple liquid state NMR simulations
  2. Protein NMR simulations
  3. Pseudocontact shift analysis
  4. Tensor trains

Q&A and support

  1. Spinach developer team
  2. Frequently asked questions
  3. Matlab configuration advice
  4. Spin dynamics lecture course
  5. Support forum