java.lang.Object
- org.rcsb.cif.model.BaseCategory
- - org.rcsb.cif.model.generated.AtomSite

All Implemented Interfaces:

Category
```
@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class AtomSite
extends BaseCategory
```
Data items in the ATOM_SITE category record details about the atom sites in a macromolecular crystal structure, such as the positional coordinates, atomic displacement parameters, magnetic moments and directions. The data items for describing anisotropic atomic displacement factors are only used if the corresponding items are not given in the ATOM_SITE_ANISOTROP category.

Field Summary
- Fields inherited from class org.rcsb.cif.model.BaseCategory
  isText, textFields

Constructor Summary

Constructors
Constructor	Description
`AtomSite(String name)`
`AtomSite(String name, int rowCount, Object[] encodedColumns)`
`AtomSite(String name, Map<String,Column> columns)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`StrColumn`	`getAdpType()`	A standard code used to describe the type of atomic displacement parameters used for the site.
`FloatColumn`	`getAnisoB11()`	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.
`FloatColumn`	`getAnisoB11Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
`FloatColumn`	`getAnisoB12()`	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.
`FloatColumn`	`getAnisoB12Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
`FloatColumn`	`getAnisoB13()`	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.
`FloatColumn`	`getAnisoB13Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
`FloatColumn`	`getAnisoB22()`	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.
`FloatColumn`	`getAnisoB22Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
`FloatColumn`	`getAnisoB23()`	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.
`FloatColumn`	`getAnisoB23Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
`FloatColumn`	`getAnisoB33()`	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.
`FloatColumn`	`getAnisoB33Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
`FloatColumn`	`getAnisoRatio()`	Ratio of the maximum to minimum principal axes of displacement (thermal) ellipsoids.
`FloatColumn`	`getAnisoU11()`	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.
`FloatColumn`	`getAnisoU11Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
`FloatColumn`	`getAnisoU12()`	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.
`FloatColumn`	`getAnisoU12Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
`FloatColumn`	`getAnisoU13()`	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.
`FloatColumn`	`getAnisoU13Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
`FloatColumn`	`getAnisoU22()`	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.
`FloatColumn`	`getAnisoU22Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
`FloatColumn`	`getAnisoU23()`	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.
`FloatColumn`	`getAnisoU23Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
`FloatColumn`	`getAnisoU33()`	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.
`FloatColumn`	`getAnisoU33Esd()`	The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
`IntColumn`	`getAttachedHydrogens()`	The number of hydrogen atoms attached to the atom at this site excluding any hydrogen atoms for which coordinates (measured or calculated) are given.
`StrColumn`	`getAuthAsymId()`	An alternative identifier for _atom_site.label_asym_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
`StrColumn`	`getAuthAtomId()`	An alternative identifier for _atom_site.label_atom_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
`StrColumn`	`getAuthCompId()`	An alternative identifier for _atom_site.label_comp_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
`IntColumn`	`getAuthSeqId()`	An alternative identifier for _atom_site.label_seq_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
`FloatColumn`	`getBEquivGeomMean()`	Equivalent isotropic atomic displacement parameter, B~eq~, in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters.
`FloatColumn`	`getBEquivGeomMeanEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.B_equiv_geom_mean.
`FloatColumn`	`getBIsoOrEquiv()`	Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, B~eq~, calculated from the anisotropic displacement parameters.
`FloatColumn`	`getBIsoOrEquivEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.B_iso_or_equiv.
`StrColumn`	`getCalcAttachedAtom()`	The _atom_site.id of the atom site to which the 'geometry-calculated' atom site is attached.
`StrColumn`	`getCalcFlag()`	A standard code to signal whether the site coordinates have been determined from the intensities or calculated from the geometry of surrounding sites, or have been assigned dummy values.
`FloatColumn`	`getCartnX()`	The x atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
`FloatColumn`	`getCartnXEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.Cartn_x.
`FloatColumn`	`getCartnY()`	The y atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
`FloatColumn`	`getCartnYEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.Cartn_y.
`FloatColumn`	`getCartnZ()`	The z atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
`FloatColumn`	`getCartnZEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.Cartn_z.
`IntColumn`	`getChemicalConnNumber()`	This data item is a pointer to _chemical_conn_atom.number in the CHEMICAL_CONN_ATOM category.
`StrColumn`	`getConstraints()`	A description of the constraints applied to parameters at this site during refinement.
`StrColumn`	`getDetails()`	A description of special aspects of this site.
`StrColumn`	`getDisorderAssembly()`	A code which identifies a cluster of atoms that show long-range positional disorder but are locally ordered.
`StrColumn`	`getDisorderGroup()`	A code which identifies a group of positionally disordered atom sites that are locally simultaneously occupied.
`StrColumn`	`getFootnoteId()`	The value of _atom_site.footnote_id must match an ID specified by _atom_sites_footnote.id in the ATOM_SITES_FOOTNOTE list.
`FloatColumn`	`getFractX()`	The x coordinate of the atom-site position specified as a fraction of _cell.length_a.
`FloatColumn`	`getFractXEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.fract_x.
`FloatColumn`	`getFractY()`	The y coordinate of the atom-site position specified as a fraction of _cell.length_b.
`FloatColumn`	`getFractYEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.fract_y.
`FloatColumn`	`getFractZ()`	The z coordinate of the atom-site position specified as a fraction of _cell.length_c.
`FloatColumn`	`getFractZEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.fract_z.
`StrColumn`	`getGroupPDB()`	The group of atoms to which the atom site belongs.
`IntColumn`	`getId()`	The value of _atom_site.id must uniquely identify a record in the ATOM_SITE list.
`IntColumn`	`getIhmModelId()`	The model id corresponding to the atom site.
`StrColumn`	`getLabelAltId()`	A component of the identifier for this atom site.
`StrColumn`	`getLabelAsymId()`	A component of the identifier for this atom site.
`StrColumn`	`getLabelAtomId()`	A component of the identifier for this atom site.
`StrColumn`	`getLabelCompId()`	A component of the identifier for this atom site.
`StrColumn`	`getLabelEntityId()`	This data item is a pointer to _entity.id in the ENTITY category.
`IntColumn`	`getLabelSeqId()`	This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
`FloatColumn`	`getOccupancy()`	The fraction of the atom type present at this site.
`FloatColumn`	`getOccupancyEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.occupancy.
`StrColumn`	`getPdbxAtomGroup()`	The ATOM group code used by the NDB.
`StrColumn`	`getPdbxAuthAltId()`	Author's alternate location identifier.
`StrColumn`	`getPdbxAuthAsymId()`	Author's strand id.
`StrColumn`	`getPdbxAuthAtomName()`	Author's atom name.
`StrColumn`	`getPdbxAuthCompId()`	Author's residue name.
`StrColumn`	`getPdbxAuthSeqId()`	Author's sequence identifier.
`IntColumn`	`getPdbxFormalCharge()`	The net integer charge assigned to this atom.
`StrColumn`	`getPdbxGroupNDB()`	The ATOM group code used by the NDB.
`StrColumn`	`getPdbxLabelSeqNum()`	Sequential residue number used by NDB.
`StrColumn`	`getPdbxNcsDomId()`	The NCS domain to which the atom position is assigned.
`StrColumn`	`getPdbxNotInAsym()`	Will identify with a 'Y' that this strand got generated.
`StrColumn`	`getPdbxPDBAtomName()`	PDB atom name.
`StrColumn`	`getPdbxPDBInsCode()`	PDB insertion code.
`IntColumn`	`getPdbxPDBModelNum()`	PDB model number.
`StrColumn`	`getPdbxPDBResidueName()`	PDB residue name.
`StrColumn`	`getPdbxPDBResidueNo()`	PDB residue number.
`StrColumn`	`getPdbxPDBStrandId()`	PDB strand id.
`StrColumn`	`getPdbxStructGroupId()`	The value of _atom_site.pdbx_struct_group_id identifies the group or groups assigned to this atom.
`StrColumn`	`getPdbxTlsGroupId()`	The TLS group to which the atom position is assigned.
`StrColumn`	`getRefinementFlags()`	A concatenated series of single-letter codes which indicate the refinement restraints or constraints applied to this site.
`StrColumn`	`getRefinementFlagsAdp()`	A code which indicates the refinement restraints or constraints applied to the atomic displacement parameters of this site.
`StrColumn`	`getRefinementFlagsOccupancy()`	A code which indicates that refinement restraints or constraints were applied to the occupancy of this site.
`StrColumn`	`getRefinementFlagsPosn()`	A code which indicates the refinement restraints or constraints applied to the positional coordinates of this site.
`StrColumn`	`getRestraints()`	A description of restraints applied to specific parameters at this site during refinement.
`IntColumn`	`getSymmetryMultiplicity()`	The multiplicity of a site due to the space-group symmetry as is given in International Tables for Crystallography Vol.
`StrColumn`	`getThermalDisplaceType()`	A standard code used to describe the type of atomic displacement parameters used for the site.
`StrColumn`	`getTypeSymbol()`	This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category.
`FloatColumn`	`getUEquivGeomMean()`	Equivalent isotropic atomic displacement parameter, U~eq~, in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters.
`FloatColumn`	`getUEquivGeomMeanEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.U_equiv_geom_mean.
`FloatColumn`	`getUIsoOrEquiv()`	Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, U~eq~, calculated from anisotropic atomic displacement parameters.
`FloatColumn`	`getUIsoOrEquivEsd()`	The standard uncertainty (estimated standard deviation) of _atom_site.U_iso_or_equiv.
`StrColumn`	`getWyckoffSymbol()`	The Wyckoff symbol (letter) as listed in the space-group tables of International Tables for Crystallography, Vol.

Methods inherited from class org.rcsb.cif.model.BaseCategory
getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category
columnNames, columns, get

- Constructor Detail
  - AtomSite
```
public AtomSite(String name,
                Map<String,Column> columns)
```
  - AtomSite
```
public AtomSite(String name,
                int rowCount,
                Object[] encodedColumns)
```
  - AtomSite
```
public AtomSite(String name)
```
- Method Detail
  - getAnisoB11
```
public FloatColumn getAnisoB11()
```
    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
  - getAnisoB11Esd
```
public FloatColumn getAnisoB11Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
    
    Returns:
    
    FloatColumn
  - getAnisoB12
```
public FloatColumn getAnisoB12()
```
    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
  - getAnisoB12Esd
```
public FloatColumn getAnisoB12Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
    
    Returns:
    
    FloatColumn
  - getAnisoB13
```
public FloatColumn getAnisoB13()
```
    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
  - getAnisoB13Esd
```
public FloatColumn getAnisoB13Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
    
    Returns:
    
    FloatColumn
  - getAnisoB22
```
public FloatColumn getAnisoB22()
```
    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
  - getAnisoB22Esd
```
public FloatColumn getAnisoB22Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
    
    Returns:
    
    FloatColumn
  - getAnisoB23
```
public FloatColumn getAnisoB23()
```
    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
  - getAnisoB23Esd
```
public FloatColumn getAnisoB23Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
    
    Returns:
    
    FloatColumn
  - getAnisoB33
```
public FloatColumn getAnisoB33()
```
    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
  - getAnisoB33Esd
```
public FloatColumn getAnisoB33Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_B.
    
    Returns:
    
    FloatColumn
  - getAnisoRatio
```
public FloatColumn getAnisoRatio()
```
    Ratio of the maximum to minimum principal axes of displacement (thermal) ellipsoids.
    
    Returns:
    
    FloatColumn
  - getAnisoU11
```
public FloatColumn getAnisoU11()
```
    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
  - getAnisoU11Esd
```
public FloatColumn getAnisoU11Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
    
    Returns:
    
    FloatColumn
  - getAnisoU12
```
public FloatColumn getAnisoU12()
```
    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
  - getAnisoU12Esd
```
public FloatColumn getAnisoU12Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
    
    Returns:
    
    FloatColumn
  - getAnisoU13
```
public FloatColumn getAnisoU13()
```
    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
  - getAnisoU13Esd
```
public FloatColumn getAnisoU13Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
    
    Returns:
    
    FloatColumn
  - getAnisoU22
```
public FloatColumn getAnisoU22()
```
    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
  - getAnisoU22Esd
```
public FloatColumn getAnisoU22Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
    
    Returns:
    
    FloatColumn
  - getAnisoU23
```
public FloatColumn getAnisoU23()
```
    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
  - getAnisoU23Esd
```
public FloatColumn getAnisoU23Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
    
    Returns:
    
    FloatColumn
  - getAnisoU33
```
public FloatColumn getAnisoU33()
```
    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
  - getAnisoU33Esd
```
public FloatColumn getAnisoU33Esd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.aniso_U.
    
    Returns:
    
    FloatColumn
  - getAttachedHydrogens
```
public IntColumn getAttachedHydrogens()
```
    The number of hydrogen atoms attached to the atom at this site excluding any hydrogen atoms for which coordinates (measured or calculated) are given.
    
    Returns:
    
    IntColumn
  - getAuthAsymId
```
public StrColumn getAuthAsymId()
```
    An alternative identifier for _atom_site.label_asym_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
    
    Returns:
    
    StrColumn
  - getAuthAtomId
```
public StrColumn getAuthAtomId()
```
    An alternative identifier for _atom_site.label_atom_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
    
    Returns:
    
    StrColumn
  - getAuthCompId
```
public StrColumn getAuthCompId()
```
    An alternative identifier for _atom_site.label_comp_id that may be provided by an author in order to match the identification used in the publication that describes the structure.
    
    Returns:
    
    StrColumn
  - getAuthSeqId
```
public IntColumn getAuthSeqId()
```
    An alternative identifier for _atom_site.label_seq_id that may be provided by an author in order to match the identification used in the publication that describes the structure. Note that this is not necessarily a number, that the values do not have to be positive, and that the value does not have to correspond to the value of _atom_site.label_seq_id. The value of _atom_site.label_seq_id is required to be a sequential list of positive integers. The author may assign values to _atom_site.auth_seq_id in any desired way. For instance, the values may be used to relate this structure to a numbering scheme in a homologous structure, including sequence gaps or insertion codes. Alternatively, a scheme may be used for a truncated polymer that maintains the numbering scheme of the full length polymer. In all cases, the scheme used here must match the scheme used in the publication that describes the structure.
    
    Returns:
    
    IntColumn
  - getBEquivGeomMean
```
public FloatColumn getBEquivGeomMean()
```
    Equivalent isotropic atomic displacement parameter, B~eq~, in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters. B~eq~ = (B~i~ B~j~ B~k~)^1/3^ B~n~ = the principal components of the orthogonalized B^ij^ 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
  - getBEquivGeomMeanEsd
```
public FloatColumn getBEquivGeomMeanEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.B_equiv_geom_mean.
    
    Returns:
    
    FloatColumn
  - getBIsoOrEquiv
```
public FloatColumn getBIsoOrEquiv()
```
    Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, B~eq~, calculated from the anisotropic displacement parameters. B~eq~ = (1/3) sum~i~[sum~j~(B^ij^ A~i~ A~j~ a*~i~ a*~j~)] A = the real space cell lengths a* = the reciprocal space cell lengths B^ij^ = 8 pi^2^ U^ij^ Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred. Note - The particular type of ADP stored in this item is qualified by item _refine.pdbx_adp_type.
    
    Returns:
    
    FloatColumn
  - getBIsoOrEquivEsd
```
public FloatColumn getBIsoOrEquivEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.B_iso_or_equiv.
    
    Returns:
    
    FloatColumn
  - getCalcAttachedAtom
```
public StrColumn getCalcAttachedAtom()
```
    The _atom_site.id of the atom site to which the 'geometry-calculated' atom site is attached.
    
    Returns:
    
    StrColumn
  - getCalcFlag
```
public StrColumn getCalcFlag()
```
    A standard code to signal whether the site coordinates have been determined from the intensities or calculated from the geometry of surrounding sites, or have been assigned dummy values. The abbreviation 'c' may be used in place of 'calc'.
    
    Returns:
    
    StrColumn
  - getCartnX
```
public FloatColumn getCartnX()
```
    The x atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
    
    Returns:
    
    FloatColumn
  - getCartnXEsd
```
public FloatColumn getCartnXEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.Cartn_x.
    
    Returns:
    
    FloatColumn
  - getCartnY
```
public FloatColumn getCartnY()
```
    The y atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
    
    Returns:
    
    FloatColumn
  - getCartnYEsd
```
public FloatColumn getCartnYEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.Cartn_y.
    
    Returns:
    
    FloatColumn
  - getCartnZ
```
public FloatColumn getCartnZ()
```
    The z atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
    
    Returns:
    
    FloatColumn
  - getCartnZEsd
```
public FloatColumn getCartnZEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.Cartn_z.
    
    Returns:
    
    FloatColumn
  - getChemicalConnNumber
```
public IntColumn getChemicalConnNumber()
```
    This data item is a pointer to _chemical_conn_atom.number in the CHEMICAL_CONN_ATOM category.
    
    Returns:
    
    IntColumn
  - getConstraints
```
public StrColumn getConstraints()
```
    A description of the constraints applied to parameters at this site during refinement. See also _atom_site.refinement_flags and _refine.ls_number_constraints.
    
    Returns:
    
    StrColumn
  - getDetails
```
public StrColumn getDetails()
```
    A description of special aspects of this site. See also _atom_site.refinement_flags.
    
    Returns:
    
    StrColumn
  - getDisorderAssembly
```
public StrColumn getDisorderAssembly()
```
    A code which identifies a cluster of atoms that show long-range positional disorder but are locally ordered. Within each such cluster of atoms, _atom_site.disorder_group is used to identify the sites that are simultaneously occupied. This field is only needed if there is more than one cluster of disordered atoms showing independent local order. *** This data item would not in general be used in a macromolecular data block. ***
    
    Returns:
    
    StrColumn
  - getDisorderGroup
```
public StrColumn getDisorderGroup()
```
    A code which identifies a group of positionally disordered atom sites that are locally simultaneously occupied. Atoms that are positionally disordered over two or more sites (e.g. the hydrogen atoms of a methyl group that exists in two orientations) can be assigned to two or more groups. Sites belonging to the same group are simultaneously occupied, but those belonging to different groups are not. A minus prefix (e.g. '-1') is used to indicate sites disordered about a special position. *** This data item would not in general be used in a macromolecular data block. ***
    
    Returns:
    
    StrColumn
  - getFootnoteId
```
public StrColumn getFootnoteId()
```
    The value of _atom_site.footnote_id must match an ID specified by _atom_sites_footnote.id in the ATOM_SITES_FOOTNOTE list.
    
    Returns:
    
    StrColumn
  - getFractX
```
public FloatColumn getFractX()
```
    The x coordinate of the atom-site position specified as a fraction of _cell.length_a.
    
    Returns:
    
    FloatColumn
  - getFractXEsd
```
public FloatColumn getFractXEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.fract_x.
    
    Returns:
    
    FloatColumn
  - getFractY
```
public FloatColumn getFractY()
```
    The y coordinate of the atom-site position specified as a fraction of _cell.length_b.
    
    Returns:
    
    FloatColumn
  - getFractYEsd
```
public FloatColumn getFractYEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.fract_y.
    
    Returns:
    
    FloatColumn
  - getFractZ
```
public FloatColumn getFractZ()
```
    The z coordinate of the atom-site position specified as a fraction of _cell.length_c.
    
    Returns:
    
    FloatColumn
  - getFractZEsd
```
public FloatColumn getFractZEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.fract_z.
    
    Returns:
    
    FloatColumn
  - getGroupPDB
```
public StrColumn getGroupPDB()
```
    The group of atoms to which the atom site belongs. This data item is provided for compatibility with the original Protein Data Bank format, and only for that purpose.
    
    Returns:
    
    StrColumn
  - getId
```
public IntColumn getId()
```
    The value of _atom_site.id must uniquely identify a record in the ATOM_SITE list. Note that this item need not be a number; it can be any unique identifier. This data item was introduced to provide compatibility between small-molecule and macromolecular CIFs. In a small-molecule CIF, _atom_site_label is the identifier for the atom. In a macromolecular CIF, the atom identifier is the aggregate of _atom_site.label_alt_id, _atom_site.label_asym_id, _atom_site.label_atom_id, _atom_site.label_comp_id and _atom_site.label_seq_id. For the two types of files to be compatible, a formal identifier for the category had to be introduced that was independent of the different modes of identifying the atoms. For compatibility with older CIFs, _atom_site_label is aliased to _atom_site.id.
    
    Returns:
    
    IntColumn
  - getLabelAltId
```
public StrColumn getLabelAltId()
```
    A component of the identifier for this atom site. For further details, see the definition of the ATOM_SITE_ALT category. This data item is a pointer to _atom_sites_alt.id in the ATOM_SITES_ALT category.
    
    Returns:
    
    StrColumn
  - getLabelAsymId
```
public StrColumn getLabelAsymId()
```
    A component of the identifier for this atom site. For further details, see the definition of the STRUCT_ASYM category. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
    
    Returns:
    
    StrColumn
  - getLabelAtomId
```
public StrColumn getLabelAtomId()
```
    A component of the identifier for this atom site. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.
    
    Returns:
    
    StrColumn
  - getLabelCompId
```
public StrColumn getLabelCompId()
```
    A component of the identifier for this atom site. This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
    
    Returns:
    
    StrColumn
  - getLabelEntityId
```
public StrColumn getLabelEntityId()
```
    This data item is a pointer to _entity.id in the ENTITY category.
    
    Returns:
    
    StrColumn
  - getLabelSeqId
```
public IntColumn getLabelSeqId()
```
    This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
    
    Returns:
    
    IntColumn
  - getOccupancy
```
public FloatColumn getOccupancy()
```
    The fraction of the atom type present at this site. The sum of the occupancies of all the atom types at this site may not significantly exceed 1.0 unless it is a dummy site.
    
    Returns:
    
    FloatColumn
  - getOccupancyEsd
```
public FloatColumn getOccupancyEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.occupancy.
    
    Returns:
    
    FloatColumn
  - getRestraints
```
public StrColumn getRestraints()
```
    A description of restraints applied to specific parameters at this site during refinement. See also _atom_site.refinement_flags and _refine.ls_number_restraints.
    
    Returns:
    
    StrColumn
  - getSymmetryMultiplicity
```
public IntColumn getSymmetryMultiplicity()
```
    The multiplicity of a site due to the space-group symmetry as is given in International Tables for Crystallography Vol. A (2002).
    
    Returns:
    
    IntColumn
  - getThermalDisplaceType
```
public StrColumn getThermalDisplaceType()
```
    A standard code used to describe the type of atomic displacement parameters used for the site.
    
    Returns:
    
    StrColumn
  - getTypeSymbol
```
public StrColumn getTypeSymbol()
```
    This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category.
    
    Returns:
    
    StrColumn
  - getUEquivGeomMean
```
public FloatColumn getUEquivGeomMean()
```
    Equivalent isotropic atomic displacement parameter, U~eq~, in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters. U~eq~ = (U~i~ U~j~ U~k~)^1/3^ U~n~ = the principal components of the orthogonalized U^ij^
    
    Returns:
    
    FloatColumn
  - getUEquivGeomMeanEsd
```
public FloatColumn getUEquivGeomMeanEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.U_equiv_geom_mean.
    
    Returns:
    
    FloatColumn
  - getUIsoOrEquiv
```
public FloatColumn getUIsoOrEquiv()
```
    Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, U~eq~, calculated from anisotropic atomic displacement parameters. U~eq~ = (1/3) sum~i~[sum~j~(U^ij^ A~i~ A~j~ a*~i~ a*~j~)] A = the real space cell lengths a* = the reciprocal space cell lengths Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776.
    
    Returns:
    
    FloatColumn
  - getUIsoOrEquivEsd
```
public FloatColumn getUIsoOrEquivEsd()
```
    The standard uncertainty (estimated standard deviation) of _atom_site.U_iso_or_equiv.
    
    Returns:
    
    FloatColumn
  - getWyckoffSymbol
```
public StrColumn getWyckoffSymbol()
```
    The Wyckoff symbol (letter) as listed in the space-group tables of International Tables for Crystallography, Vol. A (2002).
    
    Returns:
    
    StrColumn
  - getAdpType
```
public StrColumn getAdpType()
```
    A standard code used to describe the type of atomic displacement parameters used for the site.
    
    Returns:
    
    StrColumn
  - getRefinementFlags
```
public StrColumn getRefinementFlags()
```
    A concatenated series of single-letter codes which indicate the refinement restraints or constraints applied to this site. This item should not be used. It has been replaced by _atom_site.refinement_flags_posn, *_adp and *_occupancy. It is retained in this dictionary only to provide compatibility with old CIFs.
    
    Returns:
    
    StrColumn
  - getRefinementFlagsAdp
```
public StrColumn getRefinementFlagsAdp()
```
    A code which indicates the refinement restraints or constraints applied to the atomic displacement parameters of this site.
    
    Returns:
    
    StrColumn
  - getRefinementFlagsOccupancy
```
public StrColumn getRefinementFlagsOccupancy()
```
    A code which indicates that refinement restraints or constraints were applied to the occupancy of this site.
    
    Returns:
    
    StrColumn
  - getRefinementFlagsPosn
```
public StrColumn getRefinementFlagsPosn()
```
    A code which indicates the refinement restraints or constraints applied to the positional coordinates of this site.
    
    Returns:
    
    StrColumn
  - getPdbxAuthAltId
```
public StrColumn getPdbxAuthAltId()
```
    Author's alternate location identifier.
    
    Returns:
    
    StrColumn
  - getPdbxPDBInsCode
```
public StrColumn getPdbxPDBInsCode()
```
    PDB insertion code.
    
    Returns:
    
    StrColumn
  - getPdbxPDBModelNum
```
public IntColumn getPdbxPDBModelNum()
```
    PDB model number.
    
    Returns:
    
    IntColumn
  - getPdbxPDBResidueNo
```
public StrColumn getPdbxPDBResidueNo()
```
    PDB residue number.
    
    Returns:
    
    StrColumn
  - getPdbxPDBResidueName
```
public StrColumn getPdbxPDBResidueName()
```
    PDB residue name.
    
    Returns:
    
    StrColumn
  - getPdbxPDBStrandId
```
public StrColumn getPdbxPDBStrandId()
```
    PDB strand id.
    
    Returns:
    
    StrColumn
  - getPdbxPDBAtomName
```
public StrColumn getPdbxPDBAtomName()
```
    PDB atom name.
    
    Returns:
    
    StrColumn
  - getPdbxAuthAtomName
```
public StrColumn getPdbxAuthAtomName()
```
    Author's atom name.
    
    Returns:
    
    StrColumn
  - getPdbxFormalCharge
```
public IntColumn getPdbxFormalCharge()
```
    The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams.
    
    Returns:
    
    IntColumn
  - getPdbxAuthCompId
```
public StrColumn getPdbxAuthCompId()
```
    Author's residue name.
    
    Returns:
    
    StrColumn
  - getPdbxAuthAsymId
```
public StrColumn getPdbxAuthAsymId()
```
    Author's strand id.
    
    Returns:
    
    StrColumn
  - getPdbxAuthSeqId
```
public StrColumn getPdbxAuthSeqId()
```
    Author's sequence identifier.
    
    Returns:
    
    StrColumn
  - getPdbxTlsGroupId
```
public StrColumn getPdbxTlsGroupId()
```
    The TLS group to which the atom position is assigned. The TLS group is defined in category pdbx_refine_tls. This item is a reference to _pdbx_refine_tls.id.
    
    Returns:
    
    StrColumn
  - getPdbxNcsDomId
```
public StrColumn getPdbxNcsDomId()
```
    The NCS domain to which the atom position is assigned. The NCS group is defined in category struct_ncs_dom. This item is a reference to _struct_ncs_dom.id.
    
    Returns:
    
    StrColumn
  - getPdbxStructGroupId
```
public StrColumn getPdbxStructGroupId()
```
    The value of _atom_site.pdbx_struct_group_id identifies the group or groups assigned to this atom. This is a reference to the identifier for group definition in category PDBX_STRUCT_GROUP_LIST. Multiple groups identifiers are encoded as a comma separated list.
    
    Returns:
    
    StrColumn
  - getPdbxGroupNDB
```
public StrColumn getPdbxGroupNDB()
```
    The ATOM group code used by the NDB.
    
    Returns:
    
    StrColumn
  - getPdbxAtomGroup
```
public StrColumn getPdbxAtomGroup()
```
    The ATOM group code used by the NDB.
    
    Returns:
    
    StrColumn
  - getPdbxLabelSeqNum
```
public StrColumn getPdbxLabelSeqNum()
```
    Sequential residue number used by NDB.
    
    Returns:
    
    StrColumn
  - getPdbxNotInAsym
```
public StrColumn getPdbxNotInAsym()
```
    Will identify with a 'Y' that this strand got generated.
    
    Returns:
    
    StrColumn
  - getIhmModelId
```
public IntColumn getIhmModelId()
```
    The model id corresponding to the atom site. This data item is a pointer to _ihm_model_list.model_id in the IHM_MODEL_LIST category.
    
    Returns:
    
    IntColumn

Class AtomSite

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

Constructor Summary

Method Summary

Methods inherited from class org.rcsb.cif.model.BaseCategory

Methods inherited from class java.lang.Object

Methods inherited from interface org.rcsb.cif.model.Category

Constructor Detail

AtomSite

AtomSite

AtomSite

Method Detail

getAnisoB11

getAnisoB11Esd

getAnisoB12

getAnisoB12Esd

getAnisoB13

getAnisoB13Esd

getAnisoB22

getAnisoB22Esd

getAnisoB23

getAnisoB23Esd

getAnisoB33

getAnisoB33Esd

getAnisoRatio

getAnisoU11

getAnisoU11Esd

getAnisoU12

getAnisoU12Esd

getAnisoU13

getAnisoU13Esd

getAnisoU22

getAnisoU22Esd

getAnisoU23

getAnisoU23Esd

getAnisoU33

getAnisoU33Esd

getAttachedHydrogens

getAuthAsymId

getAuthAtomId

getAuthCompId

getAuthSeqId

getBEquivGeomMean

getBEquivGeomMeanEsd

getBIsoOrEquiv

getBIsoOrEquivEsd

getCalcAttachedAtom

getCalcFlag

getCartnX

getCartnXEsd

getCartnY

getCartnYEsd

getCartnZ

getCartnZEsd

getChemicalConnNumber

getConstraints

getDetails

getDisorderAssembly

getDisorderGroup

getFootnoteId

getFractX

getFractXEsd

getFractY

getFractYEsd

getFractZ

getFractZEsd

getGroupPDB

getId

getLabelAltId

getLabelAsymId

getLabelAtomId

getLabelCompId

getLabelEntityId

getLabelSeqId

getOccupancy

getOccupancyEsd

getRestraints

getSymmetryMultiplicity

getThermalDisplaceType