NOESY peak list simulation from 2D assigned spectra and protein structure

V3 Macros
1

Dear All,

I was wondering whether there is a macro that generates a 3D NOESY peak list from assigned 2D peak lists and a protein structure.

If not, I made a GUI macro that generates a 3D NOESY peak list from assigned 2D peak lists and protein atomic structure.

I used to work extensively with such a macro to assist with protein assignment on POKY (pdb2noe).

We can maybe discuss implementing this macro in the CCPNMR distribution.

2

Hi Yoan,

Your macro sounds very useful.

You can either use the online form at:

or send us your code directly to support@ccpn.ac.uk

Looking forward to have a look at it.

BW,
Eliza

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