while exporting aromatic carbon shifts with format converter I am
getting the following
Warning: no XPLOR chemAtomSysName available for 'A.33.CE*', trying IUPAC.
Warning: no XPLOR chemAtomSysName available for 'A.33.CD*', trying IUPAC.
... etc
these all appear to come from aromatic residues and seem to suggest to
me that chemAtomSysName for aromatics lacks some of the wild caeds that
are needed....
regards
gary
nb request for enhancement: could the atom browser have some residue
types in the residue popup eg. aromatic methly charged etc ?
--
-------------------------------------------------------------------
Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: [log in to unmask] Fax +44-113-2331407
-------------------------------------------------------------------
|