Class PdbxRefineTls

  • 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
    • Constructor Detail

      • PdbxRefineTls

        public PdbxRefineTls​(String name,
                             int rowCount,
                             Object[] encodedColumns)
      • PdbxRefineTls

        public PdbxRefineTls​(String name)
    • Method Detail

      • 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