Class StructMonProt

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class StructMonProt
    extends BaseCategory
    Data items in the STRUCT_MON_PROT category record details about structural properties of a protein when analyzed at the monomer level. Analogous data items for nucleic acids are given in the STRUCT_MON_NUCL category. For items where the value of the property depends on the method employed to calculate it, details of the method of calculation are given using data items in the STRUCT_MON_DETAILS category.
    • Constructor Detail

      • StructMonProt

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

        public StructMonProt​(String name)
    • Method Detail

      • getChi1

        public FloatColumn getChi1()
        The value in degrees of the side-chain torsion angle chi1, for those residues containing such an angle.
        Returns:
        FloatColumn
      • getChi2

        public FloatColumn getChi2()
        The value in degrees of the side-chain torsion angle chi2, for those residues containing such an angle.
        Returns:
        FloatColumn
      • getChi3

        public FloatColumn getChi3()
        The value in degrees of the side-chain torsion angle chi3, for those residues containing such an angle.
        Returns:
        FloatColumn
      • getChi4

        public FloatColumn getChi4()
        The value in degrees of the side-chain torsion angle chi4, for those residues containing such an angle.
        Returns:
        FloatColumn
      • getChi5

        public FloatColumn getChi5()
        The value in degrees of the side-chain torsion angle chi5, for those residues containing such an angle.
        Returns:
        FloatColumn
      • getDetails

        public FloatColumn getDetails()
        A description of special aspects of the residue, its conformation, behaviour in refinement, or any other aspect that requires annotation.
        Returns:
        FloatColumn
      • getLabelAltId

        public StrColumn getLabelAltId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_sites_alt.id in the ATOM_SITES_ALT category.
        Returns:
        StrColumn
      • getLabelAsymId

        public StrColumn getLabelAsymId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getLabelCompId

        public StrColumn getLabelCompId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getLabelSeqId

        public IntColumn getLabelSeqId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
        Returns:
        IntColumn
      • getAuthAsymId

        public StrColumn getAuthAsymId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAuthCompId

        public StrColumn getAuthCompId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAuthSeqId

        public StrColumn getAuthSeqId()
        A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getRSCCAll

        public FloatColumn getRSCCAll()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the monomer. sum|p~obs~ - <p~obs~>| * sum|p~calc~ - <p~calc~>| RSCC = ------------------------------------------------- [ sum|p~obs~ - <p~obs~> |^2^ * sum|p~calc~ - <p~calc~>|^2^ ]^1/2^ p~obs~ = the density in an 'experimental' map p~calc~ = the density in a 'calculated' map sum is taken over the specified grid points Details of how these maps were calculated should be given in _struct_mon_details.RSCC. < > indicates an average and the sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSCC. Ref: Jones, T. A., Zou, J.-Y., Cowan, S. W. & Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119.
        Returns:
        FloatColumn
      • getRSCCMain

        public FloatColumn getRSCCMain()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the main chain of the monomer. sum|p~obs~ - <p~obs~>| * sum|p~calc~ - <p~calc~>| RSCC = ------------------------------------------------- [ sum|p~obs~ - <p~obs~> |^2^ * sum|p~calc~ - <p~calc~>|^2^ ]^1/2^ p~obs~ = the density in an 'experimental' map p~calc~ = the density in a 'calculated' map sum is taken over the specified grid points Details of how these maps were calculated should be given in _struct_mon_details.RSCC. < > indicates an average and the sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSCC. Ref: Jones, T. A., Zou, J.-Y., Cowan, S. W. & Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119.
        Returns:
        FloatColumn
      • getRSCCSide

        public FloatColumn getRSCCSide()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the side chain of the monomer. sum|p~obs~ - <p~obs~>| * sum|p~calc~ - <p~calc~>| RSCC = ------------------------------------------------- [ sum|p~obs~ - <p~obs~> |^2^ * sum|p~calc~ - <p~calc~>|^2^ ]^1/2^ p~obs~ = the density in an 'experimental' map p~calc~ = the density in a 'calculated' map sum is taken over the specified grid points Details of how these maps were calculated should be given in _struct_mon_details.RSCC. < > indicates an average and the sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSCC. Ref: Jones, T. A., Zou, J.-Y., Cowan, S. W. & Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119.
        Returns:
        FloatColumn
      • getRSRAll

        public FloatColumn getRSRAll()
        The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the monomer. sum|p~obs~ - p~calc~| RSR = --------------------- sum|p~obs~ + p~calc~| p~obs~ = the density in an 'experimental' map p~calc~ = the density in a 'calculated' map sum is taken over the specified grid points Details of how these maps were calculated should be given in _struct_mon_details.RSR. The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSR. Ref: Branden, C.-I. & Jones, T. A. (1990). Nature (London), 343, 687-689.
        Returns:
        FloatColumn
      • getRSRMain

        public FloatColumn getRSRMain()
        The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the main chain of the monomer. sum|p~obs~ - p~calc~| RSR = --------------------- sum|p~obs~ + p~calc~| p~obs~ = the density in an 'experimental' map p~calc~ = the density in a 'calculated' map sum is taken over the specified grid points Details of how these maps were calculated should be given in _struct_mon_details.RSR. The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSR. Ref: Branden, C.-I. & Jones, T. A. (1990). Nature (London), 343, 687-689.
        Returns:
        FloatColumn
      • getRSRSide

        public FloatColumn getRSRSide()
        The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the side chain of the monomer. sum|p~obs~ - p~calc~| RSR = --------------------- sum|p~obs~ + p~calc~| p~obs~ = the density in an 'experimental' map p~calc~ = the density in a 'calculated' map sum is taken over the specified grid points Details of how these maps were calculated should be given in _struct_mon_details.RSR. The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSR. Ref: Branden, C.-I. & Jones, T. A. (1990). Nature (London), 343, 687-689.
        Returns:
        FloatColumn
      • getMeanBAll

        public FloatColumn getMeanBAll()
        The mean value of the isotropic displacement parameter for all atoms in the monomer.
        Returns:
        FloatColumn
      • getMeanBMain

        public FloatColumn getMeanBMain()
        The mean value of the isotropic displacement parameter for atoms in the main chain of the monomer.
        Returns:
        FloatColumn
      • getMeanBSide

        public FloatColumn getMeanBSide()
        The mean value of the isotropic displacement parameter for atoms in the side chain of the monomer.
        Returns:
        FloatColumn
      • getOmega

        public FloatColumn getOmega()
        The value in degrees of the main-chain torsion angle omega.
        Returns:
        FloatColumn
      • getPhi

        public FloatColumn getPhi()
        The value in degrees of the main-chain torsion angle phi.
        Returns:
        FloatColumn
      • getPsi

        public FloatColumn getPsi()
        The value in degrees of the main-chain torsion angle psi.
        Returns:
        FloatColumn