Dear all,
In previous messages someone asked about the naming convention in X-PLOR
for diastereotopic protons. The answer I posted at that time was wrong!
After checking things here is the correct story:
X-PLOR uses an inverse notation compared to the IUPAC recommendations, i.e.
X-PLOR HB1 --> IUPAC HB3
X-PLOR HB2 --> IUPAC HB2
For those of you interested an old reference (the new one by Wuthrich et al
should come out soon hopefully) is:
IUPAC-IUB Commission on Biochemical Nomenclature.
Abbrevations and symbols for the description of the conformation of
polypetpide chains. Tentative rules (1969) Biochemistry 9, 3471.
What is the general feeling out there about switching to the IUPAC
convention for a future X-PLOR release?
Cheers,
Alexandre
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| Alexandre Bonvin PhD | Phone: (203) 432-5066 |
| Mol. Biophys. & Biochemistry | Fax: (203) 432-3923 |
| Yale University | Email: abonvin at laplace.csb.yale.edu |
| New Haven CT 06520-8114, USA | |
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|http://xplor.csb.yale.edu/group/people/alex_bonvin/alex_bonvin.html |
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