Package org.rcsb.cif.schema.mm

Class PdbxRefineTls

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.PdbxRefineTls
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PdbxRefineTls
extends DelegatingCategory
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

  • Constructor Details

  • Method Details

    • createDelegate

      protected Column createDelegate​(String columnName, Column column)
      Overrides:
      createDelegate in class DelegatingCategory

    • 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

    • 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

    • getDetails

      public StrColumn getDetails()
      A description of the TLS group, such as a domain name or a chemical group name.
      Returns:
      StrColumn

    • getMethod

      public StrColumn getMethod()
      The method by which the TLS parameters were obtained.
      Returns:
      StrColumn

    • 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

    • 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

    • 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

    • 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

    • getT11Esd

      public FloatColumn getT11Esd()
      The estimated standard deviation of _pdbx_refine_tls.T.
      Returns:
      FloatColumn

    • 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

    • getT12Esd

      public FloatColumn getT12Esd()
      The estimated standard deviation of _pdbx_refine_tls.T.
      Returns:
      FloatColumn

    • 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

    • getT13Esd

      public FloatColumn getT13Esd()
      The estimated standard deviation of _pdbx_refine_tls.T.
      Returns:
      FloatColumn

    • 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

    • getT22Esd

      public FloatColumn getT22Esd()
      The estimated standard deviation of _pdbx_refine_tls.T.
      Returns:
      FloatColumn

    • 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

    • getT23Esd

      public FloatColumn getT23Esd()
      The estimated standard deviation of _pdbx_refine_tls.T.
      Returns:
      FloatColumn

    • 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

    • getT33Esd

      public FloatColumn getT33Esd()
      The estimated standard deviation of _pdbx_refine_tls.T.
      Returns:
      FloatColumn

    • 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

    • getL11Esd

      public FloatColumn getL11Esd()
      The estimated standard deviation of _pdbx_refine_tls.L.
      Returns:
      FloatColumn

    • 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

    • getL12Esd

      public FloatColumn getL12Esd()
      The estimated standard deviation of _pdbx_refine_tls.L.
      Returns:
      FloatColumn

    • 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

    • getL13Esd

      public FloatColumn getL13Esd()
      The estimated standard deviation of _pdbx_refine_tls.L.
      Returns:
      FloatColumn

    • 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

    • getL22Esd

      public FloatColumn getL22Esd()
      The estimated standard deviation of _pdbx_refine_tls.L.
      Returns:
      FloatColumn

    • 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

    • getL23Esd

      public FloatColumn getL23Esd()
      The estimated standard deviation of _pdbx_refine_tls.L.
      Returns:
      FloatColumn

    • 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

    • getL33Esd

      public FloatColumn getL33Esd()
      The estimated standard deviation of _pdbx_refine_tls.L.
      Returns:
      FloatColumn

    • 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

    • getS11Esd

      public FloatColumn getS11Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS12Esd

      public FloatColumn getS12Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS13Esd

      public FloatColumn getS13Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS21Esd

      public FloatColumn getS21Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS22Esd

      public FloatColumn getS22Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS23Esd

      public FloatColumn getS23Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS31Esd

      public FloatColumn getS31Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS32Esd

      public FloatColumn getS32Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn

    • 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

    • getS33Esd

      public FloatColumn getS33Esd()
      The estimated standard deviation of _pdbx_refine_tls.S.
      Returns:
      FloatColumn