Package org.rcsb.cif.model.generated
Class PdbxRefineTls
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxRefineTls
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class PdbxRefineTls extends BaseCategory
Data items in the REFINE_TLS category record details about TLS parameters used in structure refinement. Note that the intention is primarily to describe directly refined TLS parameters, although other methods of obtaining TLS parameters may be covered, see item _pdbx_refine_tls.method
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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 PdbxRefineTls(String name)PdbxRefineTls(String name, int rowCount, Object[] encodedColumns)PdbxRefineTls(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description StrColumngetDetails()A description of the TLS group, such as a domain name or a chemical group name.StrColumngetId()The value of _pdbx_refine_tls.id must uniquely identify a record in the PDBX_REFINE_TLS list.FloatColumngetL11()The elements of the libration tensor L.FloatColumngetL11Esd()The estimated standard deviation of _pdbx_refine_tls.L.FloatColumngetL12()The elements of the libration tensor L.FloatColumngetL12Esd()The estimated standard deviation of _pdbx_refine_tls.L.FloatColumngetL13()The elements of the libration tensor L.FloatColumngetL13Esd()The estimated standard deviation of _pdbx_refine_tls.L.FloatColumngetL22()The elements of the libration tensor L.FloatColumngetL22Esd()The estimated standard deviation of _pdbx_refine_tls.L.FloatColumngetL23()The elements of the libration tensor L.FloatColumngetL23Esd()The estimated standard deviation of _pdbx_refine_tls.L.FloatColumngetL33()The elements of the libration tensor L.FloatColumngetL33Esd()The estimated standard deviation of _pdbx_refine_tls.L.StrColumngetMethod()The method by which the TLS parameters were obtained.FloatColumngetOriginX()The x coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes.FloatColumngetOriginY()The y coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes.FloatColumngetOriginZ()The z coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes.StrColumngetPdbxRefineId()This data item uniquely identifies a refinement within an entry.FloatColumngetS11()The elements of the screw-rotation tensor S.FloatColumngetS11Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS12()The elements of the screw-rotation tensor S.FloatColumngetS12Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS13()The elements of the screw-rotation tensor S.FloatColumngetS13Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS21()The elements of the screw-rotation tensor S.FloatColumngetS21Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS22()The elements of the screw-rotation tensor S.FloatColumngetS22Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS23()The elements of the screw-rotation tensor S.FloatColumngetS23Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS31()The elements of the screw-rotation tensor S.FloatColumngetS31Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS32()The elements of the screw-rotation tensor S.FloatColumngetS32Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetS33()The elements of the screw-rotation tensor S.FloatColumngetS33Esd()The estimated standard deviation of _pdbx_refine_tls.S.FloatColumngetT11()The elements of the translation tensor T.FloatColumngetT11Esd()The estimated standard deviation of _pdbx_refine_tls.T.FloatColumngetT12()The elements of the translation tensor T.FloatColumngetT12Esd()The estimated standard deviation of _pdbx_refine_tls.T.FloatColumngetT13()The elements of the translation tensor T.FloatColumngetT13Esd()The estimated standard deviation of _pdbx_refine_tls.T.FloatColumngetT22()The elements of the translation tensor T.FloatColumngetT22Esd()The estimated standard deviation of _pdbx_refine_tls.T.FloatColumngetT23()The elements of the translation tensor T.FloatColumngetT23Esd()The estimated standard deviation of _pdbx_refine_tls.T.FloatColumngetT33()The elements of the translation tensor T.FloatColumngetT33Esd()The estimated standard deviation of _pdbx_refine_tls.T.-
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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getId
public StrColumn getId()
The value of _pdbx_refine_tls.id must uniquely identify a record in the PDBX_REFINE_TLS list. Note that this item need not be a number; it can be any unique identifier.- Returns:
- StrColumn
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getPdbxRefineId
public StrColumn getPdbxRefineId()
This data item uniquely identifies a refinement within an entry. _pdbx_refine_tls.pdbx_refine_id can be used to distinguish the results of joint refinements.- Returns:
- StrColumn
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getDetails
public StrColumn getDetails()
A description of the TLS group, such as a domain name or a chemical group name.- Returns:
- StrColumn
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getMethod
public StrColumn getMethod()
The method by which the TLS parameters were obtained.- Returns:
- StrColumn
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getOriginX
public FloatColumn getOriginX()
The x coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getOriginY
public FloatColumn getOriginY()
The y coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getOriginZ
public FloatColumn getOriginZ()
The z coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getT11
public FloatColumn getT11()
The elements of the translation tensor T. This should be given in the same coordinate frame and units as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getT11Esd
public FloatColumn getT11Esd()
The estimated standard deviation of _pdbx_refine_tls.T.- Returns:
- FloatColumn
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getT12
public FloatColumn getT12()
The elements of the translation tensor T. This should be given in the same coordinate frame and units as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getT12Esd
public FloatColumn getT12Esd()
The estimated standard deviation of _pdbx_refine_tls.T.- Returns:
- FloatColumn
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getT13
public FloatColumn getT13()
The elements of the translation tensor T. This should be given in the same coordinate frame and units as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getT13Esd
public FloatColumn getT13Esd()
The estimated standard deviation of _pdbx_refine_tls.T.- Returns:
- FloatColumn
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getT22
public FloatColumn getT22()
The elements of the translation tensor T. This should be given in the same coordinate frame and units as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getT22Esd
public FloatColumn getT22Esd()
The estimated standard deviation of _pdbx_refine_tls.T.- Returns:
- FloatColumn
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getT23
public FloatColumn getT23()
The elements of the translation tensor T. This should be given in the same coordinate frame and units as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getT23Esd
public FloatColumn getT23Esd()
The estimated standard deviation of _pdbx_refine_tls.T.- Returns:
- FloatColumn
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getT33
public FloatColumn getT33()
The elements of the translation tensor T. This should be given in the same coordinate frame and units as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getT33Esd
public FloatColumn getT33Esd()
The estimated standard deviation of _pdbx_refine_tls.T.- Returns:
- FloatColumn
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getL11
public FloatColumn getL11()
The elements of the libration tensor L. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getL11Esd
public FloatColumn getL11Esd()
The estimated standard deviation of _pdbx_refine_tls.L.- Returns:
- FloatColumn
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getL12
public FloatColumn getL12()
The elements of the libration tensor L. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getL12Esd
public FloatColumn getL12Esd()
The estimated standard deviation of _pdbx_refine_tls.L.- Returns:
- FloatColumn
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getL13
public FloatColumn getL13()
The elements of the libration tensor L. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getL13Esd
public FloatColumn getL13Esd()
The estimated standard deviation of _pdbx_refine_tls.L.- Returns:
- FloatColumn
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getL22
public FloatColumn getL22()
The elements of the libration tensor L. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getL22Esd
public FloatColumn getL22Esd()
The estimated standard deviation of _pdbx_refine_tls.L.- Returns:
- FloatColumn
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getL23
public FloatColumn getL23()
The elements of the libration tensor L. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getL23Esd
public FloatColumn getL23Esd()
The estimated standard deviation of _pdbx_refine_tls.L.- Returns:
- FloatColumn
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getL33
public FloatColumn getL33()
The elements of the libration tensor L. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters.- Returns:
- FloatColumn
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getL33Esd
public FloatColumn getL33Esd()
The estimated standard deviation of _pdbx_refine_tls.L.- Returns:
- FloatColumn
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getS11
public FloatColumn getS11()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. The trace of S is indeterminate by crystallography, and should be set to zero.- Returns:
- FloatColumn
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getS11Esd
public FloatColumn getS11Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS12
public FloatColumn getS12()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getS12Esd
public FloatColumn getS12Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS13
public FloatColumn getS13()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getS13Esd
public FloatColumn getS13Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS21
public FloatColumn getS21()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getS21Esd
public FloatColumn getS21Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS22
public FloatColumn getS22()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. The trace of S is indeterminate by crystallography, and should be set to zero.- Returns:
- FloatColumn
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getS22Esd
public FloatColumn getS22Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS23
public FloatColumn getS23()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getS23Esd
public FloatColumn getS23Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS31
public FloatColumn getS31()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getS31Esd
public FloatColumn getS31Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS32
public FloatColumn getS32()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric- Returns:
- FloatColumn
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getS32Esd
public FloatColumn getS32Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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getS33
public FloatColumn getS33()
The elements of the screw-rotation tensor S. This should be given in the same coordinate frame as the corresponding anisotropic displacement parameters. The trace of S is indeterminate by crystallography, and should be set to zero.- Returns:
- FloatColumn
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getS33Esd
public FloatColumn getS33Esd()
The estimated standard deviation of _pdbx_refine_tls.S.- Returns:
- FloatColumn
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