Subject: Re: [nmr_sparky] cyana
From: Mandar Naik
Date: Oct 15, 2012

Previous: 855

Hi,
Cyana will not accept Q in carbon atom names. You need to explicitly call it CD1 and CD2 etc. (Please see the link sent by Eiso). Please also see what I wrote in my first message, Sparky has CMD but cyana doesnt have CQD, so a simple text replace may cause problem for carbons.
 
QD1 and QD2 are the methyl protons (three each). If you have overlap of these two methyls, you can all it QQD (all six protons togather).
You can always read the cyanalib to see what names are acceptable. I should note, at the moment, I am travelling and have poor internet access.
-mandar
On Mon, Oct 15, 2012 at 11:31 PM, Ariam Isak ariamisak@... wrote:
 

Thanks Mandar. I used QD1, QD2... for pseudo carbons. How about naming pseudo protons?  Leucine has six delta protons, I tried assigning them a QQD1, QQD2 ... but cyana didnt like it.
 


Thanks,
Werkawi



From: Mandar Naik n.mandar@...
To: nmr_sparky@yahoogroups.com
Sent: Sunday, October 14, 2012 1:39 AM
Subject: Re: [nmr_sparky] cyana

 
Replace all M with Q using any text editor. That should take care of this except if you have pseudo atom names for carbon like CQD etc. In that event change CQD to CD1 and also make one more copy-paste entry for CD2.
-mandar

On Sat, Oct 13, 2012 at 8:45 AM, werkawi ariamisak@... wrote:
 
Hi Sparky and CYANA users,

where can i find a list of atom nomenclature for use in CYANA?

I used the same nomenclature as in BMRB and saved my chemical shift file in XEASY format (using sparky). however when i fed this to cyana, cyana is saying:

ERROR: Illegal atom name MD for residue ILE 220.

Thanks,