Attribute
|
Type
|
Multiplicity
|
Description
|
assignNames
|
Word
|
0..*
|
Names of AtomSets to which Resonance should or could be assigned. Must be in the CCPN (=IUPAC) nomenclature. Allows you to fix assignments when you know only the residue type (e.g. Leu) not the residue number. Examples (all for Leu): ('HG'), ('CA'), non-stereospecific ('HB2','HB3') or ('HD1*','HD2*'), stereospecific ('HB2') or ('HD1*'), mixed ('HB2','HB3','HG').
|
details
|
Text
|
0..1
|
Free text, for notes, explanatory comments, etc.
|
isotopeCode
|
Word
|
1..1
|
Isotope code for the resonance. E.g. '1H', '13C', '2H', '235U'
|
name
|
Line
|
0..1
|
Name of Resonance. It is recommended to set it to the assignName (q.v.) if known, but the name can be set freely.
|
serial
|
Int
|
1..1
|
Serial number of object. Serves as object main key. Serial numbers of deleted objects are not re-used. Serial numbers can only be set by the implementation. Values are in practice always positive, since negative values are interpreted as a signal to set the next free serial
|
Inherited Attributes (not in package):
applicationData,
className,
fieldNames,
inConstructor,
isDeleted,
metaclass,
packageName,
packageShortName,
qualifiedName
|