Subject: Re: Can i predict a structure , using COSY,TOCSY,NOESY
From: woonghee_lee
Date: Jun 1, 2016

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Hi,

As most of automation is designed to calculate polypeptides in the nature (L-form aa), I am afraid to say that you will need to do some manual works after assignment. However, that is going to be structure determination not prediction though. After the NOESY assignment, you may need to generate distance constraints for Xplor-NIH (two-letter-code xf) and run Xplor-NIH manually. Xplor-NIH mailing list is really well-maintained by Dr. Charles Schwieters, so you can figure out from it.
https://nmr.cit.nih.gov/xplor-nih/
https://dcb.cit.nih.gov/pipermail/xplor-nih/


Best,
Woonghee