Package org.rcsb.cif.model.generated
Class StructMonProt
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.StructMonProt
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- 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.
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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 StructMonProt(String name)StructMonProt(String name, int rowCount, Object[] encodedColumns)StructMonProt(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description StrColumngetAuthAsymId()A component of the identifier for the monomer.StrColumngetAuthCompId()A component of the identifier for the monomer.StrColumngetAuthSeqId()A component of the identifier for the monomer.FloatColumngetChi1()The value in degrees of the side-chain torsion angle chi1, for those residues containing such an angle.FloatColumngetChi2()The value in degrees of the side-chain torsion angle chi2, for those residues containing such an angle.FloatColumngetChi3()The value in degrees of the side-chain torsion angle chi3, for those residues containing such an angle.FloatColumngetChi4()The value in degrees of the side-chain torsion angle chi4, for those residues containing such an angle.FloatColumngetChi5()The value in degrees of the side-chain torsion angle chi5, for those residues containing such an angle.FloatColumngetDetails()A description of special aspects of the residue, its conformation, behaviour in refinement, or any other aspect that requires annotation.StrColumngetLabelAltId()A component of the identifier for the monomer.StrColumngetLabelAsymId()A component of the identifier for the monomer.StrColumngetLabelCompId()A component of the identifier for the monomer.IntColumngetLabelSeqId()A component of the identifier for the monomer.FloatColumngetMeanBAll()The mean value of the isotropic displacement parameter for all atoms in the monomer.FloatColumngetMeanBMain()The mean value of the isotropic displacement parameter for atoms in the main chain of the monomer.FloatColumngetMeanBSide()The mean value of the isotropic displacement parameter for atoms in the side chain of the monomer.FloatColumngetOmega()The value in degrees of the main-chain torsion angle omega.FloatColumngetPhi()The value in degrees of the main-chain torsion angle phi.FloatColumngetPsi()The value in degrees of the main-chain torsion angle psi.FloatColumngetRSCCAll()The real-space (linear) correlation coefficient RSCC, as described by Jones et al.FloatColumngetRSCCMain()The real-space (linear) correlation coefficient RSCC, as described by Jones et al.FloatColumngetRSCCSide()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 monomer.FloatColumngetRSRMain()The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the main chain of the monomer.FloatColumngetRSRSide()The real-space residual RSR, as described by Branden & Jones (1990), evaluated over all atoms in the side chain of the monomer.-
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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getChi1
public FloatColumn getChi1()
The value in degrees of the side-chain torsion angle chi1, for those residues containing such an angle.- Returns:
- FloatColumn
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getChi2
public FloatColumn getChi2()
The value in degrees of the side-chain torsion angle chi2, for those residues containing such an angle.- Returns:
- FloatColumn
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getChi3
public FloatColumn getChi3()
The value in degrees of the side-chain torsion angle chi3, for those residues containing such an angle.- Returns:
- FloatColumn
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getChi4
public FloatColumn getChi4()
The value in degrees of the side-chain torsion angle chi4, for those residues containing such an angle.- Returns:
- FloatColumn
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getChi5
public FloatColumn getChi5()
The value in degrees of the side-chain torsion angle chi5, for those residues containing such an angle.- 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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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
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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
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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
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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
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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
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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
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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
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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 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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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
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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
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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 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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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
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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
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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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getMeanBMain
public FloatColumn getMeanBMain()
The mean value of the isotropic displacement parameter for atoms in the main chain of the monomer.- Returns:
- FloatColumn
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getMeanBSide
public FloatColumn getMeanBSide()
The mean value of the isotropic displacement parameter for atoms in the side chain of the monomer.- Returns:
- FloatColumn
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getOmega
public FloatColumn getOmega()
The value in degrees of the main-chain torsion angle omega.- Returns:
- FloatColumn
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getPhi
public FloatColumn getPhi()
The value in degrees of the main-chain torsion angle phi.- Returns:
- FloatColumn
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getPsi
public FloatColumn getPsi()
The value in degrees of the main-chain torsion angle psi.- Returns:
- FloatColumn
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