11. Core modules
The MDAnalysis.core modules contain functionality essential for
MDAnalysis, such as the central data structures in
MDAnalysis.core.universe and MDAnalysis.core.groups or
the selection definitions and parsing in
MDAnalysis.core.selection.
11.2. Important objects for users
All users of MDAnalysis need to understand the two most important
classes in this section, namely the
Universe and the
AtomGroup.
11.3. Topology system
The topology system is primarily of interest to developers.
- 11.3.1. Core Topology object —
MDAnalysis.core.topology - 11.3.2. Core Topology Objects —
MDAnalysis.core.topologyobjects AngleBondCMapDihedralImproperDihedralTopologyDictTopologyGroupTopologyObjectUreyBradley- 11.3.3. Topology attribute objects —
MDAnalysis.core.topologyattrs AltLocsAnglesAromaticitiesAtomAttrAtomStringAttrAtomidsAtomindicesAtomnamesAtomtypesBondsCMapsChainIDsChargesDihedralsElementsEpsilon14sEpsilonsFormalChargesGBScreensICodesImpropersMassesMolnumsMoltypesNonbondedIndicesOccupanciesRMin14sRMinsRSChiralityRadiiRecordTypesResidsResidueAttrResidueStringAttrResindicesResnamesResnumsSegidsSegindicesSegmentAttrSegmentStringAttrSolventRadiiTempfactorsTopologyAttrUreyBradleys
See also
11.4. Selection system
The selection system is primarily of interest to developers.
- 11.4.1. Atom selection Hierarchy —
MDAnalysis.core.selection AromaticSelectionBackboneSelectionBaseSelectionBoolSelectionByNumSelectionByResSelectionFLOAT_PATTERNFloatRangeSelectionINT_PATTERNNucleicBackboneSelectionNucleicSelectionNucleicSugarSelectionPropertySelectionProteinSelectionRANGE_PATTERNRangeSelectionResidSelectionSameSelectionSelectionParserSingleCharSelectionSmartsSelectiongen_selection_class()grab_not_keywords()is_keyword()join_separated_values()return_empty_on_apply()