Package org.rcsb.cif.model.generated
Class AtomSiteAnisotrop
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.AtomSiteAnisotrop
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class AtomSiteAnisotrop extends BaseCategory
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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Field Summary
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Fields inherited from class org.rcsb.cif.model.BaseCategory
isText, textFields
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Constructor Summary
Constructors Constructor Description AtomSiteAnisotrop(String name)AtomSiteAnisotrop(String name, int rowCount, Object[] encodedColumns)AtomSiteAnisotrop(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description 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.model.BaseCategory
getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.rcsb.cif.model.Category
columnNames, columns, get
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Method Detail
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getB11
public FloatColumn 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
public FloatColumn getB11Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB12
public FloatColumn 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
public FloatColumn getB12Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB13
public FloatColumn 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
public FloatColumn getB13Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB22
public FloatColumn 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
public FloatColumn getB22Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB23
public FloatColumn 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
public FloatColumn getB23Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getB33
public FloatColumn 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
public FloatColumn getB33Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.B.- Returns:
- FloatColumn
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getRatio
public FloatColumn getRatio()
Ratio of the maximum to minimum principal axes of displacement (thermal) ellipsoids.- Returns:
- FloatColumn
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getId
public StrColumn getId()
This data item is a pointer to _atom_site.id in the ATOM_SITE category.- Returns:
- StrColumn
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getTypeSymbol
public StrColumn getTypeSymbol()
This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category.- Returns:
- StrColumn
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getU11
public FloatColumn 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
public FloatColumn getU11Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU12
public FloatColumn 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
public FloatColumn getU12Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU13
public FloatColumn 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
public FloatColumn getU13Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU22
public FloatColumn 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
public FloatColumn getU22Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU23
public FloatColumn 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
public FloatColumn getU23Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getU33
public FloatColumn 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
public FloatColumn getU33Esd()
The standard uncertainty (estimated standard deviation) of _atom_site_anisotrop.U.- Returns:
- FloatColumn
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getPdbxAuthSeqId
public StrColumn getPdbxAuthSeqId()
Pointer to _atom_site.auth_seq_id- Returns:
- StrColumn
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getPdbxAuthAltId
public StrColumn getPdbxAuthAltId()
Pointer to _atom_site.pdbx_auth_alt_id.- Returns:
- StrColumn
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getPdbxAuthAsymId
public StrColumn getPdbxAuthAsymId()
Pointer to _atom_site.auth_asym_id- Returns:
- StrColumn
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getPdbxAuthAtomId
public StrColumn getPdbxAuthAtomId()
Pointer to _atom_site.auth_atom_id- Returns:
- StrColumn
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getPdbxAuthCompId
public StrColumn getPdbxAuthCompId()
Pointer to _atom_site.auth_comp_id- Returns:
- StrColumn
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getPdbxLabelSeqId
public IntColumn getPdbxLabelSeqId()
Pointer to _atom_site.label_seq_id- Returns:
- IntColumn
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getPdbxLabelAltId
public StrColumn getPdbxLabelAltId()
Pointer to _atom_site.label_alt_id.- Returns:
- StrColumn
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getPdbxLabelAsymId
public StrColumn getPdbxLabelAsymId()
Pointer to _atom_site.label_asym_id- Returns:
- StrColumn
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getPdbxLabelAtomId
public StrColumn getPdbxLabelAtomId()
Pointer to _atom_site.label_atom_id- Returns:
- StrColumn
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getPdbxLabelCompId
public StrColumn getPdbxLabelCompId()
Pointer to _atom_site.label_comp_id- Returns:
- StrColumn
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getPdbxPDBInsCode
public StrColumn getPdbxPDBInsCode()
Pointer to _atom_site.pdbx_PDB_ins_code- Returns:
- StrColumn
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getPdbxPDBModelNum
public IntColumn getPdbxPDBModelNum()
Pointer to _atom_site.pdbx_PDB_model_num- Returns:
- IntColumn
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getPdbxNotInAsym
public StrColumn getPdbxNotInAsym()
Will identify with a 'Y' that this strand got generated.- Returns:
- StrColumn
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getPdbxPDBResidueNo
public StrColumn getPdbxPDBResidueNo()
PDB residue number.- Returns:
- StrColumn
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getPdbxPDBResidueName
public StrColumn getPdbxPDBResidueName()
PDB residue name.- Returns:
- StrColumn
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getPdbxPDBStrandId
public StrColumn getPdbxPDBStrandId()
PDB strand id.- Returns:
- StrColumn
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getPdbxPDBAtomName
public StrColumn getPdbxPDBAtomName()
PDB atom name.- Returns:
- StrColumn
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getPdbxAuthAtomName
public StrColumn getPdbxAuthAtomName()
Author's atom name.- Returns:
- StrColumn
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getPdbxLabelInsCode
public StrColumn getPdbxLabelInsCode()
NDB INSERTION CODE- Returns:
- StrColumn
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