Package org.rcsb.cif.model.generated
Class StructMonNucl
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.StructMonNucl
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- 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.
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Field Summary
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Fields inherited from class org.rcsb.cif.model.BaseCategory
isText, textFields
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Constructor Summary
Constructors Constructor Description StructMonNucl(String name)StructMonNucl(String name, int rowCount, Object[] encodedColumns)StructMonNucl(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description FloatColumngetAlpha()The value in degrees of the backbone torsion angle alpha (O3'-P-O5'-C5').StrColumngetAuthAsymId()A component of the identifier for participants in the site.StrColumngetAuthCompId()A component of the identifier for participants in the site.StrColumngetAuthSeqId()A component of the identifier for participants in the site.FloatColumngetBeta()The value in degrees of the backbone torsion angle beta (P-O5'-C5'-C4').FloatColumngetChi1()The value in degrees of the sugar-base torsion angle chi1 (O4'-C1'-N1-C2).FloatColumngetChi2()The value in degrees of the sugar-base torsion angle chi2 (O4'-C1'-N9-C4).FloatColumngetDelta()The value in degrees of the backbone torsion angle delta (C5'-C4'-C3'-O3').FloatColumngetDetails()A description of special aspects of the residue, its conformation, behaviour in refinement, or any other aspect that requires annotation.FloatColumngetEpsilon()The value in degrees of the backbone torsion angle epsilon (C4'-C3'-O3'-P).FloatColumngetGamma()The value in degrees of the backbone torsion angle gamma (O5'-C5'-C4'-C3').StrColumngetLabelAltId()A component of the identifier for participants in the site.StrColumngetLabelAsymId()A component of the identifier for participants in the site.StrColumngetLabelCompId()A component of the identifier for participants in the site.IntColumngetLabelSeqId()A component of the identifier for participants in the site.FloatColumngetMeanBAll()The mean value of the isotropic displacement parameter for all atoms in the monomer.FloatColumngetMeanBBase()The mean value of the isotropic displacement parameter for atoms in the base moiety of the nucleic acid monomer.FloatColumngetMeanBPhos()The mean value of the isotropic displacement parameter for atoms in the phosphate moiety of the nucleic acid monomer.FloatColumngetMeanBSugar()The mean value of the isotropic displacement parameter for atoms in the sugar moiety of the nucleic acid monomer.FloatColumngetNu0()The value in degrees of the sugar torsion angle nu0 (C4'-O4'-C1'-C2').FloatColumngetNu1()The value in degrees of the sugar torsion angle nu1 (O4'-C1'-C2'-C3').FloatColumngetNu2()The value in degrees of the sugar torsion angle nu2 (C1'-C2'-C3'-C4').FloatColumngetNu3()The value in degrees of the sugar torsion angle nu3 (C2'-C3'-C4'-O4').FloatColumngetNu4()The value in degrees of the sugar torsion angle nu4 (C3'-C4'-O4'-C1').FloatColumngetP()P is the phase angle of pseudorotation for five-membered rings.FloatColumngetRSCCAll()The real-space (linear) correlation coefficient RSCC, as described by Jones et al.FloatColumngetRSCCBase()The real-space (linear) correlation coefficient RSCC, as described by Jones et al.FloatColumngetRSCCPhos()The real-space (linear) correlation coefficient RSCC, as described by Jones et al.FloatColumngetRSCCSugar()The real-space (linear) correlation coefficient RSCC, as described by Jones et al.FloatColumngetRSRAll()The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the nucleic acid monomer.FloatColumngetRSRBase()The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the base moiety of the nucleic acid monomer.FloatColumngetRSRPhos()The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the phosphate moiety of the nucleic acid monomer.FloatColumngetRSRSugar()The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the sugar moiety of the nucleic acid monomer.FloatColumngetTau0()The value in degrees of the sugar torsion angle tau0 (C4'-O4'-C1'-C2').FloatColumngetTau1()The value in degrees of the sugar torsion angle tau1 (O4'-C1'-C2'-C3').FloatColumngetTau2()The value in degrees of the sugar torsion angle tau2 (C1'-C2'-C3'-C4').FloatColumngetTau3()The value in degrees of the sugar torsion angle tau3 (C2'-C3'-C4'-O4').FloatColumngetTau4()The value in degrees of the sugar torsion angle tau4 (C3'-C4'-O4'-C1').FloatColumngetTaum()The maximum amplitude of puckering.FloatColumngetZeta()The value in degrees of the backbone torsion angle zeta (C3'-O3'-P-O5').-
Methods inherited from class org.rcsb.cif.model.BaseCategory
getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.rcsb.cif.model.Category
columnNames, columns, get
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Method Detail
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getAlpha
public FloatColumn getAlpha()
The value in degrees of the backbone torsion angle alpha (O3'-P-O5'-C5').- Returns:
- FloatColumn
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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
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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
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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
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getBeta
public FloatColumn getBeta()
The value in degrees of the backbone torsion angle beta (P-O5'-C5'-C4').- Returns:
- FloatColumn
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getChi1
public FloatColumn getChi1()
The value in degrees of the sugar-base torsion angle chi1 (O4'-C1'-N1-C2).- Returns:
- FloatColumn
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getChi2
public FloatColumn getChi2()
The value in degrees of the sugar-base torsion angle chi2 (O4'-C1'-N9-C4).- Returns:
- FloatColumn
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getDelta
public FloatColumn getDelta()
The value in degrees of the backbone torsion angle delta (C5'-C4'-C3'-O3').- Returns:
- FloatColumn
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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
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getEpsilon
public FloatColumn getEpsilon()
The value in degrees of the backbone torsion angle epsilon (C4'-C3'-O3'-P).- Returns:
- FloatColumn
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getGamma
public FloatColumn getGamma()
The value in degrees of the backbone torsion angle gamma (O5'-C5'-C4'-C3').- Returns:
- FloatColumn
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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
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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
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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
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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
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getMeanBAll
public FloatColumn getMeanBAll()
The mean value of the isotropic displacement parameter for all atoms in the monomer.- Returns:
- FloatColumn
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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
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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
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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
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getNu0
public FloatColumn getNu0()
The value in degrees of the sugar torsion angle nu0 (C4'-O4'-C1'-C2').- Returns:
- FloatColumn
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getNu1
public FloatColumn getNu1()
The value in degrees of the sugar torsion angle nu1 (O4'-C1'-C2'-C3').- Returns:
- FloatColumn
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getNu2
public FloatColumn getNu2()
The value in degrees of the sugar torsion angle nu2 (C1'-C2'-C3'-C4').- Returns:
- FloatColumn
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getNu3
public FloatColumn getNu3()
The value in degrees of the sugar torsion angle nu3 (C2'-C3'-C4'-O4').- Returns:
- FloatColumn
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getNu4
public FloatColumn getNu4()
The value in degrees of the sugar torsion angle nu4 (C3'-C4'-O4'-C1').- Returns:
- FloatColumn
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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
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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
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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
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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
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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
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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
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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
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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
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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
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getTau0
public FloatColumn getTau0()
The value in degrees of the sugar torsion angle tau0 (C4'-O4'-C1'-C2').- Returns:
- FloatColumn
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getTau1
public FloatColumn getTau1()
The value in degrees of the sugar torsion angle tau1 (O4'-C1'-C2'-C3').- Returns:
- FloatColumn
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getTau2
public FloatColumn getTau2()
The value in degrees of the sugar torsion angle tau2 (C1'-C2'-C3'-C4').- Returns:
- FloatColumn
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getTau3
public FloatColumn getTau3()
The value in degrees of the sugar torsion angle tau3 (C2'-C3'-C4'-O4').- Returns:
- FloatColumn
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getTau4
public FloatColumn getTau4()
The value in degrees of the sugar torsion angle tau4 (C3'-C4'-O4'-C1').- Returns:
- FloatColumn
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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
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getZeta
public FloatColumn getZeta()
The value in degrees of the backbone torsion angle zeta (C3'-O3'-P-O5').- Returns:
- FloatColumn
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