Subject: Re: [nmr_sparky] Solid State Data and strip plots
From: Tom Goddard
Date: May 19, 2011

Previous: 790

Hi Andrew,

It might be difficult to get the Sparky spin graph assigner to do anything useful for your data. It was designed to create protein backbone walks with triple resonance H, N, C experiments. Im not sure what you mean by the strips do not display properly (wrong strips, wrong axes?). I wrote that code about 15 years ago, and it was a prototype of an idea for how to simplify the assignment process. So even for the backbone walks it is pretty rough around the edges. So unless you are prepared to investigate and tweek some complex very old Python code this is not likely to be helpful to you. The code is all distributed with Sparky in the Sparky/python/sparky directory. I dont work on NMR and cannot revisit it.

Tom Goddard


Hello all,

I would like to make some strip plots in sparky using Solid-state data. While this may be done manually, I would very much prefer to use the spin graph assigner. Unfortunately, I have not been able to set this up with the software. The data has typically two carbon dimensions and a nitrogen dimension. So far I have tried adding lines to expectedpeaks.py to include different types of spectra by adding lines such as:

NCOCX: [ C N C, CA-1 N C ],

to the part where the spectrum descriptions are given inside the script. This has allowed me to load the spectra into the spin graph assigner, but the axes do not display properly. I suspect the issue is that I have two 13C axes, while in the solution data typically no two axes are identical. Does anyone have any idea of a work-around for this problem?

-Andrew Butterworth