Class: ChemAtomShiftCorr
Sequence dependent chemical shift correction. The correction is defined as ChemAtomShift.randomCoilValue plus the sum of ChemAtomShiftCorr.value for all relevant ChemAtomShiftCorr. A ChemAtomShiftCorr with e.g. molType='protein', ccpCode='Ala', seqOffset=+1, describes the correction to apply to the atom in the current amino acid (which might be e.g. a Glu) to correct for the effect of an alanine at relative position +1.
These corrections are specific for a given pair of residue types. The correction for e.g. an Alanine at +1 is mostlly the same for a given atom (e.g. CA) no matter what amino acid it is in. These general corrections are given in the ChemCOmp with ccpCode='Xxx', that serves as an 'Any' residue. Pair-specific corrections are only given if they are differnt from the geneeric ones, or if the current Atom is not present in Xxx.
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