Package org.rcsb.cif.model.generated
Class PdbxValidateChiral
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxValidateChiral
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class PdbxValidateChiral extends BaseCategory
Data items in the PDBX_VALIDATE_CHIRAL category list the residues that contain unexpected configuration of chiral centers. IMPROPER HA N C CB chirality CA IMPROPER HB1 HB2 CA CG stereo CB as this number approaches (+) or (-) 180.0, then the error in predicting the true chirality of the center increases. Improper dihedrals are a measure of the chirality/planarity of the structure at a specific atom. Values around -35 or +35 are expected for chiral atoms, and values around 0 for planar atoms. HERE improper C---N----CA---CB done expected answer is around -120 mean -122.52 D-amino acid is +120.0
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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 PdbxValidateChiral(String name)PdbxValidateChiral(String name, int rowCount, Object[] encodedColumns)PdbxValidateChiral(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description StrColumngetAuthAsymId()Part of the identifier of the residue This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.StrColumngetAuthAtomId()Part of the identifier of the residue This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.StrColumngetAuthCompId()Part of the identifier of the residue This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.StrColumngetAuthSeqId()Part of the identifier of the residue This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.StrColumngetDetails()A description of the outlier angle e.g.IntColumngetId()The value of _pdbx_validate_chiral.id must uniquely identify each item in the PDBX_VALIDATE_CHIRAL list.StrColumngetLabelAltId()Part of the identifier of the residue This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.FloatColumngetOmega()The value of the OMEGA angle for the peptide linkage between the two defined residuesStrColumngetPDBInsCode()Optional identifier of the residue This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.IntColumngetPDBModelNum()The model number for the given residue This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.-
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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getId
public IntColumn getId()
The value of _pdbx_validate_chiral.id must uniquely identify each item in the PDBX_VALIDATE_CHIRAL list. This is an integer serial number.- Returns:
- IntColumn
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getPDBModelNum
public IntColumn getPDBModelNum()
The model number for the given residue This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.- Returns:
- IntColumn
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getAuthAsymId
public StrColumn getAuthAsymId()
Part of the identifier of the residue This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.- Returns:
- StrColumn
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getAuthAtomId
public StrColumn getAuthAtomId()
Part of the identifier of the residue This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.- Returns:
- StrColumn
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getLabelAltId
public StrColumn getLabelAltId()
Part of the identifier of the residue This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.- Returns:
- StrColumn
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getAuthCompId
public StrColumn getAuthCompId()
Part of the identifier of the residue 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()
Part of the identifier of the residue This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.- Returns:
- StrColumn
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getPDBInsCode
public StrColumn getPDBInsCode()
Optional identifier of the residue This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.- Returns:
- StrColumn
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getOmega
public FloatColumn getOmega()
The value of the OMEGA angle for the peptide linkage between the two defined residues- Returns:
- FloatColumn
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getDetails
public StrColumn getDetails()
A description of the outlier angle e.g. ALPHA-CARBON- Returns:
- StrColumn
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