Package org.rcsb.cif.schema.mm

Class RefineLsRestr

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.RefineLsRestr
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class RefineLsRestr
extends DelegatingCategory
Data items in the REFINE_LS_RESTR category record details about the restraints applied to various classes of parameters during the least-squares refinement.

  • 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.pdbx_refine_id can be used to distinguish the results of joint refinements.
      Returns:
      StrColumn

    • getCriterion

      public StrColumn getCriterion()
      A criterion used to define a parameter value that deviates significantly from its ideal value in the model obtained by restrained least-squares refinement.
      Returns:
      StrColumn

    • getDevIdeal

      public FloatColumn getDevIdeal()
      For the given parameter type, the root-mean-square deviation between the ideal values used as restraints in the least-squares refinement and the values obtained by refinement. For instance, bond distances may deviate by 0.018 \%A (r.m.s.) from ideal values in the current model.
      Returns:
      FloatColumn

    • getDevIdealTarget

      public FloatColumn getDevIdealTarget()
      For the given parameter type, the target root-mean-square deviation between the ideal values used as restraints in the least-squares refinement and the values obtained by refinement.
      Returns:
      FloatColumn

    • getNumber

      public IntColumn getNumber()
      The number of parameters of this type subjected to restraint in least-squares refinement.
      Returns:
      IntColumn

    • getRejects

      public IntColumn getRejects()
      The number of parameters of this type that deviate from ideal values by more than the amount defined in _refine_ls_restr.criterion in the model obtained by restrained least-squares refinement.
      Returns:
      IntColumn

    • getType

      public StrColumn getType()
      The type of the parameter being restrained. Explicit sets of data values are provided for the programs PROTIN/PROLSQ (beginning with p_) and RESTRAIN (beginning with RESTRAIN_). As computer programs change, these data values are given as examples, not as an enumeration list. Computer programs that convert a data block to a refinement table will expect the exact form of the data values given here to be used.
      Returns:
      StrColumn

    • getWeight

      public FloatColumn getWeight()
      The weighting value applied to this type of restraint in the least-squares refinement.
      Returns:
      FloatColumn

    • getPdbxRestraintFunction

      public StrColumn getPdbxRestraintFunction()
      The functional form of the restraint function used in the least-squares refinement.
      Returns:
      StrColumn