SimLabel: a GUI to simulate cw EPR from spin labeling

[Emilien]

NEW!!!!!

Guidelines for the simulations of Nitroxide X-band cw EPR spectra from SDSL experiments are now available!

Etienne at al, 2023, Molecules 2023, 28(3), 1348 (https://doi.org/10.3390/molecules28031348)

[KV2024]

Hi Emilien,

The GUI is fancy!

I actually just jumped from the bruker software to here but find that the input of hyperfine constant is 3D and it seems like only 2 nuclei are allowed.

However, my simulation of spin-trapped adducted needs 3 nuclei (like DMPO-OH, 1N and 2H). And I thought the bruker software only asked me to input 1D hyperfine constants...

May I correct that my proposed application is not covered by the spinlabel?

Many thanks for your comments in advance!

[Emilien]

Hi,
you are right. Your application is unfortunately not covered by SimLabel...
However you can do it by coding. You can also use the cwEPR App of Leonard Obrien if you already know EasySpin.
And sorry for the delay of answer, my subcription to this post has been surprisingly unchecked.

Emilien