Subject: Re: [nmr_sparky] sparky spectrum list assigned residue names split
From: Eiso AB
Date: Apr 8, 2019

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Hi David,

its not entirely clear (to me at least) what your trying to do but nomenclature
in sparky works
more or less like this:

theres a group name (residue) e.g. A7 Ala7 HYP25 V25a V25b etc.
so a name, number and optional variant . [A-Z]+[0-9]+[a-z]*

and there are atom names, e.g. HA HB2 H343 CZ QD (pseudo atom representing
HD1,HD2) MB (methyl: HB1 HB2HB3)

These are the things you should fill in for group and atom if you for
example assign something via the at dialog.

Sparky in general doesnt enforce this nomenclature though.

btw I dont understand what this is supposed to mean:

7 ALA HA; 18 V4n HB etc

7 ALA HA is clear enough but what is 18 V4n HB ?

Eiso

Schröder, David Christopher dschroeder@... [nmr_sparky] wrote:

Dear all,

I am using sparky as a beginner to assign small modified peptides(peptide
bonds replaced by triazoles). Therefor

I used our pdb nomenclature for assignments. All my residue names consist of
three characters followed by the residues number.

E.g. ALA7 V4n18 L4c22. For the NOESY spectrum list I would like to have it
split accordingly: 7 ALA HA; 18 V4n HB etc. However it splits prior the

first number instead of three letters. Is there a possibility to define
artificial residue names?

Best regards,

David