Package org.rcsb.cif.schema.mm

Class RefineLsRestrNcs

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.RefineLsRestrNcs
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class RefineLsRestrNcs
extends DelegatingCategory
Data items in the REFINE_LS_RESTR_NCS category record details about the restraints applied to atom positions in domains related by noncrystallographic symmetry during least-squares refinement, and also about the deviation of the restrained atomic parameters at the end of the refinement. It is expected that these values will only be reported once for each set of restrained domains.

  • Constructor Details

  • Method Details

    • createDelegate

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

    • getPdbxRefineId

      public StrColumn getPdbxRefineId()
      This data item uniquely identifies a refinement within an entry. _refine_ls_restr_ncs.pdbx_refine_id can be used to distinguish the results of joint refinements.
      Returns:
      StrColumn

    • getDomId

      public StrColumn getDomId()
      This data item is a pointer to _struct_ncs_dom.id in the STRUCT_NCS_DOM category.
      Returns:
      StrColumn

    • getNcsModelDetails

      public StrColumn getNcsModelDetails()
      Special aspects of the manner in which noncrystallographic restraints were applied to atomic parameters in the domain specified by _refine_ls_restr_ncs.dom_id and equivalent atomic parameters in the domains against which it was restrained.
      Returns:
      StrColumn

    • getRmsDevBIso

      public FloatColumn getRmsDevBIso()
      The root-mean-square deviation in equivalent isotropic displacement parameters in the domain specified by _refine_ls_restr_ncs.dom_id and in the domains against which it was restrained.
      Returns:
      FloatColumn

    • getRmsDevPosition

      public FloatColumn getRmsDevPosition()
      The root-mean-square deviation in equivalent atom positions in the domain specified by _refine_ls_restr_ncs.dom_id and in the domains against which it was restrained.
      Returns:
      FloatColumn

    • getWeightBIso

      public FloatColumn getWeightBIso()
      The value of the weighting coefficient used in noncrystallographic symmetry restraint of isotropic displacement parameters in the domain specified by _refine_ls_restr_ncs.dom_id to equivalent isotropic displacement parameters in the domains against which it was restrained.
      Returns:
      FloatColumn

    • getWeightPosition

      public FloatColumn getWeightPosition()
      The value of the weighting coefficient used in noncrystallographic symmetry restraint of atom positions in the domain specified by _refine_ls_restr_ncs.dom_id to equivalent atom positions in the domains against which it was restrained.
      Returns:
      FloatColumn

    • getPdbxOrdinal

      public IntColumn getPdbxOrdinal()
      An ordinal index for the list of NCS restraints.
      Returns:
      IntColumn

    • getPdbxType

      public StrColumn getPdbxType()
      The type of NCS restraint. (for example: tight positional)
      Returns:
      StrColumn

    • getPdbxAsymId

      public StrColumn getPdbxAsymId()
      A reference to _struct_asym.id.
      Returns:
      StrColumn

    • getPdbxAuthAsymId

      public StrColumn getPdbxAuthAsymId()
      A reference to the PDB Chain ID
      Returns:
      StrColumn

    • getPdbxNumber

      public IntColumn getPdbxNumber()
      Records the number restraints in the contributing to the RMS statistic.
      Returns:
      IntColumn

    • getPdbxRms

      public FloatColumn getPdbxRms()
      Records the standard deviation in the restraint between NCS related domains.
      Returns:
      FloatColumn

    • getPdbxWeight

      public FloatColumn getPdbxWeight()
      Records the weight used for NCS restraint.
      Returns:
      FloatColumn

    • getPdbxEnsId

      public StrColumn getPdbxEnsId()
      This is a unique identifier for a collection NCS related domains. This references item '_struct_ncs_dom.pdbx_ens_id'.
      Returns:
      StrColumn