Subject: Re: [nmr_sparky] atom assignment for HSQC spectrum
From: Tom Goddard
Date: May 28, 2010

Previous: 713

Assignment guessing would do the job if you already have amide nitrogen assignments in the project. If not, I think copying a set of assigned peaks from another hsqc then deleting all those peaks will leave the resonance assignments and then using a generous nitrogen shift tolerance in the guessing should work.

http://www.cgl.ucsf.edu/home/sparky/manual/peaks.html#AssignmentGuessing

Tom

Recently I need to assign quite a few HSQC spectra by comparing with known assignments. The assignments are done through the atom assignment window. Id like to modify the default program so that once I make a selection of an amide proton, the amide nitrogen of the same residue will be assigned. This will save the trouble to make two assignments and prevent mistakes of wrong selections. My question is whether this function is written in an accessible python extension or compiled in the core program.

Thanks.