Class StructMonNucl

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class StructMonNucl
    extends BaseCategory
    Data items in the STRUCT_MON_NUCL category record details about structural properties of a nucleic acid when analyzed at the monomer level. Analogous data items for proteins are given in the STRUCT_MON_PROT 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

      • StructMonNucl

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

        public StructMonNucl​(String name)
    • Method Detail

      • getAlpha

        public FloatColumn getAlpha()
        The value in degrees of the backbone torsion angle alpha (O3'-P-O5'-C5').
        Returns:
        FloatColumn
      • getAuthAsymId

        public StrColumn getAuthAsymId()
        A component of the identifier for participants in the site. 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 participants in the site. 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 participants in the site. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getBeta

        public FloatColumn getBeta()
        The value in degrees of the backbone torsion angle beta (P-O5'-C5'-C4').
        Returns:
        FloatColumn
      • getChi1

        public FloatColumn getChi1()
        The value in degrees of the sugar-base torsion angle chi1 (O4'-C1'-N1-C2).
        Returns:
        FloatColumn
      • getChi2

        public FloatColumn getChi2()
        The value in degrees of the sugar-base torsion angle chi2 (O4'-C1'-N9-C4).
        Returns:
        FloatColumn
      • getDelta

        public FloatColumn getDelta()
        The value in degrees of the backbone torsion angle delta (C5'-C4'-C3'-O3').
        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
      • getEpsilon

        public FloatColumn getEpsilon()
        The value in degrees of the backbone torsion angle epsilon (C4'-C3'-O3'-P).
        Returns:
        FloatColumn
      • getGamma

        public FloatColumn getGamma()
        The value in degrees of the backbone torsion angle gamma (O5'-C5'-C4'-C3').
        Returns:
        FloatColumn
      • getLabelAltId

        public StrColumn getLabelAltId()
        A component of the identifier for participants in the site. 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 participants in the site. 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 participants in the site. 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 participants in the site. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
        Returns:
        IntColumn
      • getMeanBAll

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

        public FloatColumn getMeanBBase()
        The mean value of the isotropic displacement parameter for atoms in the base moiety of the nucleic acid monomer.
        Returns:
        FloatColumn
      • getMeanBPhos

        public FloatColumn getMeanBPhos()
        The mean value of the isotropic displacement parameter for atoms in the phosphate moiety of the nucleic acid monomer.
        Returns:
        FloatColumn
      • getMeanBSugar

        public FloatColumn getMeanBSugar()
        The mean value of the isotropic displacement parameter for atoms in the sugar moiety of the nucleic acid monomer.
        Returns:
        FloatColumn
      • getNu0

        public FloatColumn getNu0()
        The value in degrees of the sugar torsion angle nu0 (C4'-O4'-C1'-C2').
        Returns:
        FloatColumn
      • getNu1

        public FloatColumn getNu1()
        The value in degrees of the sugar torsion angle nu1 (O4'-C1'-C2'-C3').
        Returns:
        FloatColumn
      • getNu2

        public FloatColumn getNu2()
        The value in degrees of the sugar torsion angle nu2 (C1'-C2'-C3'-C4').
        Returns:
        FloatColumn
      • getNu3

        public FloatColumn getNu3()
        The value in degrees of the sugar torsion angle nu3 (C2'-C3'-C4'-O4').
        Returns:
        FloatColumn
      • getNu4

        public FloatColumn getNu4()
        The value in degrees of the sugar torsion angle nu4 (C3'-C4'-O4'-C1').
        Returns:
        FloatColumn
      • getP

        public FloatColumn getP()
        P is the phase angle of pseudorotation for five-membered rings. For ribose and deoxyribose sugars in nucleic acids (tau4 +tau1)-(tau3+tau0) P = ATAN (-------------------------) 2tau2 (sin 36+sin 72) If tau2 is <0, then P=P+180 degree (Altona & Sundaralingam, 1972). Ref: Altona, C. & Sundaralingam, M. (1972). J. Am. Chem. Soc. 94, 8205-8212.
        Returns:
        FloatColumn
      • getRSCCAll

        public FloatColumn getRSCCAll()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the nucleic acid 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
      • getRSCCBase

        public FloatColumn getRSCCBase()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the base moiety of the nucleic acid 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
      • getRSCCPhos

        public FloatColumn getRSCCPhos()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the phosphate moiety of the nucleic acid 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
      • getRSCCSugar

        public FloatColumn getRSCCSugar()
        The real-space (linear) correlation coefficient RSCC, as described by Jones et al. (1991), evaluated over all atoms in the sugar moiety of the nucleic acid 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 nucleic acid 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
      • getRSRBase

        public FloatColumn getRSRBase()
        The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the base moiety of the nucleic acid 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
      • getRSRPhos

        public FloatColumn getRSRPhos()
        The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the phosphate moiety of the nucleic acid 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
      • getRSRSugar

        public FloatColumn getRSRSugar()
        The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the sugar moiety of the nucleic acid 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
      • getTau0

        public FloatColumn getTau0()
        The value in degrees of the sugar torsion angle tau0 (C4'-O4'-C1'-C2').
        Returns:
        FloatColumn
      • getTau1

        public FloatColumn getTau1()
        The value in degrees of the sugar torsion angle tau1 (O4'-C1'-C2'-C3').
        Returns:
        FloatColumn
      • getTau2

        public FloatColumn getTau2()
        The value in degrees of the sugar torsion angle tau2 (C1'-C2'-C3'-C4').
        Returns:
        FloatColumn
      • getTau3

        public FloatColumn getTau3()
        The value in degrees of the sugar torsion angle tau3 (C2'-C3'-C4'-O4').
        Returns:
        FloatColumn
      • getTau4

        public FloatColumn getTau4()
        The value in degrees of the sugar torsion angle tau4 (C3'-C4'-O4'-C1').
        Returns:
        FloatColumn
      • getTaum

        public FloatColumn getTaum()
        The maximum amplitude of puckering. This is derived from the pseudorotation value P and the torsion angles in the ribose ring. Tau2= Taum cosP Tau3= Taum cos(P+144) Tau4= Taum cos(P+288) Tau0= Taum cos(P+ 72) Tau1= Taum cos(P+216)
        Returns:
        FloatColumn
      • getZeta

        public FloatColumn getZeta()
        The value in degrees of the backbone torsion angle zeta (C3'-O3'-P-O5').
        Returns:
        FloatColumn