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Class: ChemAtomShiftCorr


    Sequence dependent chemical shift correction. The correction is defined as ChemAtomShift.randomCoilValue plus the sum of ChemAtomShiftCorr.value for all relevant ChemAtomShiftCorr. A ChemAtomShiftCorr with e.g. molType='protein', ccpCode='Ala', seqOffset=+1, describes the correction to apply to the atom in the current amino acid (which might be e.g. a Glu)  to correct for the effect of an alanine at relative position +1.

    These corrections are specific for a given pair of residue types. The correction for e.g. an Alanine at +1 is mostlly the same for a given atom (e.g. CA) no matter what amino acid it is in. These general corrections are given in the ChemCOmp with ccpCode='Xxx', that serves as an 'Any' residue. Pair-specific corrections are only given if they are differnt from the geneeric ones, or if the current Atom is not present in Xxx.
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Appendix

Inheritance:


Details:

Parent: link chemAtomNmrRef to class ChemAtomNmrRef
Main key: molType, ccpCode, seqOffset
Mandatory Attributes: ccpCode, molType, seqOffset
Known Subclasses: None
Children: None
Constructor: newObj = ChemAtomShiftCorr( chemAtomNmrRef,ccpCode=value, molType=value, seqOffset=value, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
ccpCode LongWord 1..1 ccpCode of residue being corrected for  
molType ccp.api.molecule.ChemComp.MolType 1..1 molType of residue being corrected for  
seqOffset Int 1..1 Sequence offset of residue being corrected for  
value Float 0..1 Value of chemical shift sequence correction  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
chemAtomNmrRef ChemAtomNmrRef 1..1 (Parent link). parent link  
chemComp ccp.api.molecule.ChemComp.ChemComp 1..1 Derived. ChemComp to which Shift correction information refers.  
parent ChemAtomNmrRef 1..1 link to parent object - synonym for chemAtomNmrRef  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
ccpCode
getCcpCode LongWord -
setCcpCode - LongWord
molType
getMolType ccp.api.molecule.ChemComp.MolType -
setMolType - ccp.api.molecule.ChemComp.MolType
seqOffset
getSeqOffset Int -
setSeqOffset - Int
value
getValue Float -
setValue - Float

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
chemAtomNmrRef
getChemAtomNmrRef ChemAtomNmrRef -
chemComp
getChemComp ccp.api.molecule.ChemComp.ChemComp - non-std.
parent
getParent ChemAtomNmrRef -

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey ChemAtomShiftCorr memops.api.Implementation.MemopsObject, Any List static
getFullKey Any List Boolean
getLocalKey Any -
get Any String
set - String, Any

Factory Methods (in package)

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Method Return Parameters
None

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:25:09_00005

isImplicit:

False

Tag

Value
repositoryId $Id: $

Tag

Value
repositoryTag $Name: $

Special constructor code:

None

Special destructor code:

None

Special postDestructor code:

None

Constraints:

None
Known inward one-way links: None
  Data Model Version 2.1.2
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Fri Mar 28 11:18:08 2014    from data model package  ccp.api.nmr.NmrReference.ChemAtomShiftCorr   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk