Data Model version 2.0.5
Diagram | Class Map | Attribute Map | Method Map | Help | License
Home | Package: { prev | next } | Class | Attribute | Method

Package: LabeledMolecule

    Package for describing isotope labeling of molecules
Data Types
Data Obj Types

Imported Packages:

ChemComp,   ChemCompLabel,   Molecule,   memops.api.AccessControl,   memops.api.Implementation

Packages Importing ccp.api.molecule.LabeledMolecule:

ccp.api.lims.RefSampleComponent,   ccp.api.nmr.Nmr


Class Description
AtomLabel Atom label indicators.
LabeledMixture Mixture of labeled species.
LabeledMolecule Molecule whose labeling is presented.
MolLabel Molecule labeling pattern
MolLabelFraction Describes the relative abundance of a given MolLabel in a given LabeledMixture (association class).
ResLabel Residue labeling pattern. If there are any SingleAtomLabels for a given atom, these uniquely determine the isotope composition. Failing that, if there are any UniformLabels for a given atom, these uniquely determine the isotope composition. Failing that the composition is determined  by the ResLabelFractions.
Note that AtomLabels effectively specify the isotope composition one position at a time. Any correlations between the labeling patterns of two (or more) Atoms can only be specified with the ResLabelFractions.
ResLabelFraction Fraction of Residue labeling that follows a given labeling scheme
SingleAtomLabel Atom label referring to a single atom. Overrides any UniformAtomLabel and ResLabelFraction records present for the same residue ID(s)
UniformAtomLabel Atom label description valid for all atoms of a given element in a given residue, except those attached to any SingleAtomLabel object.

Data Obj Types:

Type Description

Data Types:

Type Description

Package guid:
  Data Model Version 2.0.5
Go to Top  
  Autogenerated by  PyApiDocGen  revision 1.3   on  Mon Mar 26 16:58:17 2012    from data model package  ccp.api.molecule.LabeledMolecule   revision 1.41  
  Work done by the CCPN team.