OEChem - API Manual Version 1.3.1

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3.34 OEResidue

class OEResidue

The OEResidue class in OEChem is used to attach biopolymer information to each OEAtomBase. This class contains a number of fields specific to processing macromolecules, such as proteins and nucleic acids. Each atom may be annotated with a unique OEResidue, hence OEResidue instances are not shared between different atoms. If the fields of an OEResidue associated with a single atom are updated, only that atom is affected.

• 3.34.1 operator =
• 3.34.2 operator bool
• 3.34.3 GetAlternateLocation
• 3.34.4 GetBFactor
• 3.34.5 GetChainID
• 3.34.6 GetFragmentNumber
• 3.34.7 GetInsertCode
• 3.34.8 GetModelNumber
• 3.34.9 GetName
• 3.34.10 GetOccupancy
• 3.34.11 GetResidueNumber
• 3.34.12 GetSecondaryStructure
• 3.34.13 GetSerialNumber
• 3.34.14 IsHetAtom
• 3.34.15 SetAlternateLocation
• 3.34.16 SetBFactor
• 3.34.17 SetChainID
• 3.34.18 SetFragmentNumber
• 3.34.19 SetHetAtom
• 3.34.20 SetInsertCode
• 3.34.21 SetModelNumber
• 3.34.22 SetName
• 3.34.23 SetOccupancy
• 3.34.24 SetResidueNumber
• 3.34.25 SetSecondaryStructure
• 3.34.26 SetSerialNumber

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				OEChem - API Manual Version 1.3.1

Previous: 3.33 OERotMatrix Up: 3. OEChem Classes and Next: 3.34.1 operator =

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Documentation released on July 30, 2004.