Package org.rcsb.cif.schema.mm
Class AtomSiteAnisotrop
java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.AtomSiteAnisotrop
- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class AtomSiteAnisotrop
extends DelegatingCategory
Data items in the ATOM_SITE_ANISOTROP category record details
about anisotropic displacement parameters.
If the ATOM_SITE_ANISOTROP category is used for storing these
data, the corresponding ATOM_SITE data items are not used.
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Nested Class Summary
Nested classes/interfaces inherited from class org.rcsb.cif.schema.DelegatingCategory
DelegatingCategory.DelegatingCifCoreCategoryNested classes/interfaces inherited from interface org.rcsb.cif.model.Category
Category.EmptyCategory -
Field Summary
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Constructor Summary
Constructors Constructor Description AtomSiteAnisotrop(Category delegate) -
Method Summary
Modifier and Type Method Description protected ColumncreateDelegate(String columnName, Column column)FloatColumngetB11()The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetB11Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.FloatColumngetB12()The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetB12Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.FloatColumngetB13()The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetB13Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.FloatColumngetB22()The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetB22Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.FloatColumngetB23()The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetB23Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.FloatColumngetB33()The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetB33Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.StrColumngetId()This data item is a pointer to _atom_site.id in the ATOM_SITE category.StrColumngetPdbxAuthAltId()Pointer to _atom_site.pdbx_auth_alt_id.StrColumngetPdbxAuthAsymId()Pointer to _atom_site.auth_asym_idStrColumngetPdbxAuthAtomId()Pointer to _atom_site.auth_atom_idStrColumngetPdbxAuthAtomName()Author's atom name.StrColumngetPdbxAuthCompId()Pointer to _atom_site.auth_comp_idStrColumngetPdbxAuthSeqId()Pointer to _atom_site.auth_seq_idStrColumngetPdbxLabelAltId()Pointer to _atom_site.label_alt_id.StrColumngetPdbxLabelAsymId()Pointer to _atom_site.label_asym_idStrColumngetPdbxLabelAtomId()Pointer to _atom_site.label_atom_idStrColumngetPdbxLabelCompId()Pointer to _atom_site.label_comp_idStrColumngetPdbxLabelInsCode()NDB INSERTION CODEIntColumngetPdbxLabelSeqId()Pointer to _atom_site.label_seq_idStrColumngetPdbxNotInAsym()Will identify with a 'Y' that this strand got generated.StrColumngetPdbxPDBAtomName()PDB atom name.StrColumngetPdbxPDBInsCode()Pointer to _atom_site.pdbx_PDB_ins_codeIntColumngetPdbxPDBModelNum()Pointer to _atom_site.pdbx_PDB_model_numStrColumngetPdbxPDBResidueName()PDB residue name.StrColumngetPdbxPDBResidueNo()PDB residue number.StrColumngetPdbxPDBStrandId()PDB strand id.FloatColumngetRatio()Ratio of the maximum to minimum principal axes of displacement (thermal) ellipsoids.StrColumngetTypeSymbol()This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category.FloatColumngetU11()The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetU11Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.FloatColumngetU12()The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetU12Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.FloatColumngetU13()The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetU13Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.FloatColumngetU22()The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetU22Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.FloatColumngetU23()The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetU23Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.FloatColumngetU33()The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places.FloatColumngetU33Esd()The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.Methods inherited from class org.rcsb.cif.schema.DelegatingCategory
getCategoryName, getColumn, getColumns, getRowCount
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Constructor Details
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Method Details
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createDelegate
- Overrides:
createDelegatein classDelegatingCategory
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getB11
The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred.- Returns:
- FloatColumn
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getB11Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB12
The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred.- Returns:
- FloatColumn
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getB12Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB13
The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred.- Returns:
- FloatColumn
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getB13Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB22
The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred.- Returns:
- FloatColumn
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getB22Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB23
The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred.- Returns:
- FloatColumn
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getB23Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB33
The elements of the anisotropic atomic displacement matrix B, which appears in the structure-factor term as: T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred.- Returns:
- FloatColumn
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getB33Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getRatio
Ratio of the maximum to minimum principal axes of displacement (thermal) ellipsoids.- Returns:
- FloatColumn
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getId
This data item is a pointer to _atom_site.id in the ATOM_SITE category.- Returns:
- StrColumn
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getTypeSymbol
This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category.- Returns:
- StrColumn
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getU11
The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row.- Returns:
- FloatColumn
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getU11Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU12
The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row.- Returns:
- FloatColumn
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getU12Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU13
The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row.- Returns:
- FloatColumn
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getU13Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU22
The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row.- Returns:
- FloatColumn
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getU22Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU23
The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row.- Returns:
- FloatColumn
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getU23Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU33
The elements of the standard anisotropic atomic displacement matrix U, which appears in the structure-factor term as: T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]} h = the Miller indices a* = the reciprocal space cell lengths These matrix elements may appear with atomic coordinates in the ATOM_SITE category, or they may appear in the separate ATOM_SITE_ANISOTROP category, but they may not appear in both places. Similarly, anisotropic displacements may appear as either B's or U's, but not as both. The unique elements of the real symmetric matrix are entered by row.- Returns:
- FloatColumn
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getU33Esd
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getPdbxAuthSeqId
Pointer to _atom_site.auth_seq_id- Returns:
- StrColumn
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getPdbxAuthAltId
Pointer to _atom_site.pdbx_auth_alt_id.- Returns:
- StrColumn
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getPdbxAuthAsymId
Pointer to _atom_site.auth_asym_id- Returns:
- StrColumn
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getPdbxAuthAtomId
Pointer to _atom_site.auth_atom_id- Returns:
- StrColumn
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getPdbxAuthCompId
Pointer to _atom_site.auth_comp_id- Returns:
- StrColumn
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getPdbxLabelSeqId
Pointer to _atom_site.label_seq_id- Returns:
- IntColumn
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getPdbxLabelAltId
Pointer to _atom_site.label_alt_id.- Returns:
- StrColumn
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getPdbxLabelAsymId
Pointer to _atom_site.label_asym_id- Returns:
- StrColumn
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getPdbxLabelAtomId
Pointer to _atom_site.label_atom_id- Returns:
- StrColumn
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getPdbxLabelCompId
Pointer to _atom_site.label_comp_id- Returns:
- StrColumn
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getPdbxPDBInsCode
Pointer to _atom_site.pdbx_PDB_ins_code- Returns:
- StrColumn
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getPdbxPDBModelNum
Pointer to _atom_site.pdbx_PDB_model_num- Returns:
- IntColumn
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getPdbxNotInAsym
Will identify with a 'Y' that this strand got generated.- Returns:
- StrColumn
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getPdbxPDBResidueNo
PDB residue number.- Returns:
- StrColumn
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getPdbxPDBResidueName
PDB residue name.- Returns:
- StrColumn
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getPdbxPDBStrandId
PDB strand id.- Returns:
- StrColumn
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getPdbxPDBAtomName
PDB atom name.- Returns:
- StrColumn
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getPdbxAuthAtomName
Author's atom name.- Returns:
- StrColumn
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getPdbxLabelInsCode
NDB INSERTION CODE- Returns:
- StrColumn
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