Class PdbxValidateChiral

  • 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
    • Constructor Detail

      • PdbxValidateChiral

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

        public PdbxValidateChiral​(String name)
    • Method Detail

      • 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
      • 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
      • 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
      • 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
      • 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
      • 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
      • 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
      • 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
      • getOmega

        public FloatColumn getOmega()
        The value of the OMEGA angle for the peptide linkage between the two defined residues
        Returns:
        FloatColumn
      • getDetails

        public StrColumn getDetails()
        A description of the outlier angle e.g. ALPHA-CARBON
        Returns:
        StrColumn