Package org.rcsb.cif.model.generated
Class PdbxDccGeometry
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxDccGeometry
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class PdbxDccGeometry extends BaseCategory
Data items in the category record the overall deviations about geometry (such as bond length, angle, dihedral, chirality, planarity). These data are calculated with the phenix module model_vs_data.
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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 PdbxDccGeometry(String name)PdbxDccGeometry(String name, int rowCount, Object[] encodedColumns)PdbxDccGeometry(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description FloatColumngetAllAtomClashscore()All atom score is determined by steric overlaps >0.4A per 1000 atoms.FloatColumngetAngleLigandMax()The maximum root mean square deviation for bond angles (ligand only).FloatColumngetAngleLigandRms()The overall root mean square deviation for bond angles (ligand only).FloatColumngetAngleOverallMax()The maximum root mean square deviation for bond angles (all atoms).FloatColumngetAngleOverallRms()The overall root mean square deviation for bond angles (all atoms).FloatColumngetBondLigandMax()The maximum root mean square deviation for bond lengths (ligand only).FloatColumngetBondLigandRms()The overall root mean square deviation for bond lengths (ligand only).FloatColumngetBondOverallMax()The maximum root mean square deviation for bond lengths (all atoms).FloatColumngetBondOverallRms()The overall root mean square deviation for bond lengths (all atoms).IntColumngetCbetaDeviations()Number of Cbeta deviations >0.25A.FloatColumngetChiralityOverallMax()The maximum root mean square deviation for chirality (all atoms).FloatColumngetChiralityOverallRms()The overall root mean square deviation for chirality (all atoms).FloatColumngetDihedralOverallMax()The maximum root mean square deviation for dihedrals (all atoms).FloatColumngetDihedralOverallRms()The overall root mean square deviation for dihedrals (all atoms).FloatColumngetNon_bondedRms()The overall on-bonded distance (all atoms).FloatColumngetOverallScore()The overall score for the geometry (the smaller the better).StrColumngetPdbid()The PDB id code.FloatColumngetPlanarityOverallMax()The maximum root mean square deviation for planarity (all atoms).FloatColumngetPlanarityOverallRms()The overall root mean square deviation for planarity (all atoms).IntColumngetRamachandranAllowedNumber()Number of allowed residues in Ramachandran plot.FloatColumngetRamachandranAllowedPercent()Percentage of allowed residues in Ramachandran plot.IntColumngetRamachandranFavoredNumber()Number of favored residues in Ramachandran plot.FloatColumngetRamachandranFavoredPercent()Percentage of favored residues in Ramachandran plot.IntColumngetRamachandranOutlierNumber()Number of outliers in Ramachandran plot.FloatColumngetRamachandranOutlierPercent()Percentage of outliers in Ramachandran plot.IntColumngetRotamerOutliersNumber()Number of rotamer outliers.FloatColumngetRotamerOutliersPercent()Percentage of rotamer outliers.-
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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getPdbid
public StrColumn getPdbid()
The PDB id code.- Returns:
- StrColumn
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getRamachandranOutlierPercent
public FloatColumn getRamachandranOutlierPercent()
Percentage of outliers in Ramachandran plot.- Returns:
- FloatColumn
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getRamachandranOutlierNumber
public IntColumn getRamachandranOutlierNumber()
Number of outliers in Ramachandran plot.- Returns:
- IntColumn
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getRamachandranAllowedPercent
public FloatColumn getRamachandranAllowedPercent()
Percentage of allowed residues in Ramachandran plot.- Returns:
- FloatColumn
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getRamachandranAllowedNumber
public IntColumn getRamachandranAllowedNumber()
Number of allowed residues in Ramachandran plot.- Returns:
- IntColumn
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getRamachandranFavoredPercent
public FloatColumn getRamachandranFavoredPercent()
Percentage of favored residues in Ramachandran plot.- Returns:
- FloatColumn
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getRamachandranFavoredNumber
public IntColumn getRamachandranFavoredNumber()
Number of favored residues in Ramachandran plot.- Returns:
- IntColumn
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getRotamerOutliersPercent
public FloatColumn getRotamerOutliersPercent()
Percentage of rotamer outliers.- Returns:
- FloatColumn
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getRotamerOutliersNumber
public IntColumn getRotamerOutliersNumber()
Number of rotamer outliers.- Returns:
- IntColumn
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getCbetaDeviations
public IntColumn getCbetaDeviations()
Number of Cbeta deviations >0.25A.- Returns:
- IntColumn
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getAllAtomClashscore
public FloatColumn getAllAtomClashscore()
All atom score is determined by steric overlaps >0.4A per 1000 atoms.- Returns:
- FloatColumn
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getOverallScore
public FloatColumn getOverallScore()
The overall score for the geometry (the smaller the better).- Returns:
- FloatColumn
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getBondOverallRms
public FloatColumn getBondOverallRms()
The overall root mean square deviation for bond lengths (all atoms).- Returns:
- FloatColumn
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getBondOverallMax
public FloatColumn getBondOverallMax()
The maximum root mean square deviation for bond lengths (all atoms).- Returns:
- FloatColumn
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getBondLigandRms
public FloatColumn getBondLigandRms()
The overall root mean square deviation for bond lengths (ligand only).- Returns:
- FloatColumn
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getBondLigandMax
public FloatColumn getBondLigandMax()
The maximum root mean square deviation for bond lengths (ligand only).- Returns:
- FloatColumn
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getAngleOverallRms
public FloatColumn getAngleOverallRms()
The overall root mean square deviation for bond angles (all atoms).- Returns:
- FloatColumn
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getAngleOverallMax
public FloatColumn getAngleOverallMax()
The maximum root mean square deviation for bond angles (all atoms).- Returns:
- FloatColumn
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getAngleLigandRms
public FloatColumn getAngleLigandRms()
The overall root mean square deviation for bond angles (ligand only).- Returns:
- FloatColumn
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getAngleLigandMax
public FloatColumn getAngleLigandMax()
The maximum root mean square deviation for bond angles (ligand only).- Returns:
- FloatColumn
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getDihedralOverallRms
public FloatColumn getDihedralOverallRms()
The overall root mean square deviation for dihedrals (all atoms).- Returns:
- FloatColumn
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getDihedralOverallMax
public FloatColumn getDihedralOverallMax()
The maximum root mean square deviation for dihedrals (all atoms).- Returns:
- FloatColumn
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getChiralityOverallRms
public FloatColumn getChiralityOverallRms()
The overall root mean square deviation for chirality (all atoms).- Returns:
- FloatColumn
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getChiralityOverallMax
public FloatColumn getChiralityOverallMax()
The maximum root mean square deviation for chirality (all atoms).- Returns:
- FloatColumn
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getPlanarityOverallRms
public FloatColumn getPlanarityOverallRms()
The overall root mean square deviation for planarity (all atoms).- Returns:
- FloatColumn
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getPlanarityOverallMax
public FloatColumn getPlanarityOverallMax()
The maximum root mean square deviation for planarity (all atoms).- Returns:
- FloatColumn
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getNon_bondedRms
public FloatColumn getNon_bondedRms()
The overall on-bonded distance (all atoms).- Returns:
- FloatColumn
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