Data Model version 2.1.2
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Package: MolStructure


    Three-dimensional structures and their atomic coordinates, corresponding to the ATOM and HETATM records in a PDB file.
Classes
Data Types
Data Obj Types

Imported Packages:

ChemComp,   MolSystem,   Validation,   ccp.api.general.Template,   memops.api.AccessControl,   memops.api.Implementation

Packages Importing ccp.api.molecule.MolStructure:

ccp.api.nmr.Nmr,   ccp.api.nmr.NmrCalc,   ccp.api.nmr.NmrConstraint,   ccpnmr.api.AnalysisV3,   utrecht.api.Haddock

Classes:

Class Description
Atom Atom in Coordinate description - local equivalent of MolSystem.Atom for a given set of coordinates.
Chain Chain of Molecular System coordinate description.
Coord Coordinate record for StructureModel.
DataMatrix Matrix of per-atom, per-model data. Data matrices named 'coordinates', 'bFactors', and 'occupancies' are created when the first Model object is created
Model A single structure instance that is part of the structure ensemble. Corresponds to a PDB MODEL.
Residue Residue in Molsystem Coordinate description
StructureEnsemble Ensemble of three-dimensional structures (atomic coordinates) or trajectory for the MolSystem or part of it.

Data Obj Types:

Type Description
None

Data Types:

Type Description
EnsembleDataNames DataMatrix names. Open enumeration, serves to standardise spelling.

Package guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:22:54_00065
  Data Model Version 2.1.2
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  Work done by the CCPN team.
www.ccpn.ac.uk