Class Cell

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class Cell
    extends BaseCategory
    Data items in the CELL category record details about the crystallographic cell parameters.
    • Method Detail

      • getAngleAlpha

        public FloatColumn getAngleAlpha()
        Unit-cell angle alpha of the reported structure in degrees.
        Returns:
        FloatColumn
      • getAngleAlphaEsd

        public FloatColumn getAngleAlphaEsd()
        The standard uncertainty (estimated standard deviation) of _cell.angle_alpha.
        Returns:
        FloatColumn
      • getAngleBeta

        public FloatColumn getAngleBeta()
        Unit-cell angle beta of the reported structure in degrees.
        Returns:
        FloatColumn
      • getAngleBetaEsd

        public FloatColumn getAngleBetaEsd()
        The standard uncertainty (estimated standard deviation) of _cell.angle_beta.
        Returns:
        FloatColumn
      • getAngleGamma

        public FloatColumn getAngleGamma()
        Unit-cell angle gamma of the reported structure in degrees.
        Returns:
        FloatColumn
      • getAngleGammaEsd

        public FloatColumn getAngleGammaEsd()
        The standard uncertainty (estimated standard deviation) of _cell.angle_gamma.
        Returns:
        FloatColumn
      • getEntryId

        public StrColumn getEntryId()
        This data item is a pointer to _entry.id in the ENTRY category.
        Returns:
        StrColumn
      • getDetails

        public StrColumn getDetails()
        A description of special aspects of the cell choice, noting possible alternative settings.
        Returns:
        StrColumn
      • getFormulaUnitsZ

        public IntColumn getFormulaUnitsZ()
        The number of the formula units in the unit cell as specified by _chemical_formula.structural, _chemical_formula.moiety or _chemical_formula.sum.
        Returns:
        IntColumn
      • getLengthA

        public FloatColumn getLengthA()
        Unit-cell length a corresponding to the structure reported in angstroms.
        Returns:
        FloatColumn
      • getLengthAEsd

        public FloatColumn getLengthAEsd()
        The standard uncertainty (estimated standard deviation) of _cell.length_a.
        Returns:
        FloatColumn
      • getLengthB

        public FloatColumn getLengthB()
        Unit-cell length b corresponding to the structure reported in angstroms.
        Returns:
        FloatColumn
      • getLengthBEsd

        public FloatColumn getLengthBEsd()
        The standard uncertainty (estimated standard deviation) of _cell.length_b.
        Returns:
        FloatColumn
      • getLengthC

        public FloatColumn getLengthC()
        Unit-cell length c corresponding to the structure reported in angstroms.
        Returns:
        FloatColumn
      • getLengthCEsd

        public FloatColumn getLengthCEsd()
        The standard uncertainty (estimated standard deviation) of _cell.length_c.
        Returns:
        FloatColumn
      • getVolume

        public FloatColumn getVolume()
        Cell volume V in angstroms cubed. V = a b c (1 - cos^2^~alpha~ - cos^2^~beta~ - cos^2^~gamma~ + 2 cos~alpha~ cos~beta~ cos~gamma~)^1/2^ a = _cell.length_a b = _cell.length_b c = _cell.length_c alpha = _cell.angle_alpha beta = _cell.angle_beta gamma = _cell.angle_gamma
        Returns:
        FloatColumn
      • getVolumeEsd

        public FloatColumn getVolumeEsd()
        The standard uncertainty (estimated standard deviation) of _cell.volume.
        Returns:
        FloatColumn
      • getZPDB

        public IntColumn getZPDB()
        The number of the polymeric chains in a unit cell. In the case of heteropolymers, Z is the number of occurrences of the most populous chain. This data item is provided for compatibility with the original Protein Data Bank format, and only for that purpose.
        Returns:
        IntColumn
      • getReciprocalAngleAlpha

        public FloatColumn getReciprocalAngleAlpha()
        The angle (recip-alpha) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
        Returns:
        FloatColumn
      • getReciprocalAngleBeta

        public FloatColumn getReciprocalAngleBeta()
        The angle (recip-beta) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
        Returns:
        FloatColumn
      • getReciprocalAngleGamma

        public FloatColumn getReciprocalAngleGamma()
        The angle (recip-gamma) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
        Returns:
        FloatColumn
      • getReciprocalAngleAlphaEsd

        public FloatColumn getReciprocalAngleAlphaEsd()
        The estimated standard deviation of _cell.reciprocal_angle_alpha.
        Returns:
        FloatColumn
      • getReciprocalAngleBetaEsd

        public FloatColumn getReciprocalAngleBetaEsd()
        The estimated standard deviation of _cell.reciprocal_angle_beta.
        Returns:
        FloatColumn
      • getReciprocalAngleGammaEsd

        public FloatColumn getReciprocalAngleGammaEsd()
        The estimated standard deviation of _cell.reciprocal_angle_gamma.
        Returns:
        FloatColumn
      • getReciprocalLengthA

        public FloatColumn getReciprocalLengthA()
        The reciprocal cell length (recip-a) in inverse Angstroms. (recip-a), (recip-b) and (recip-c) are related to the real cell by the following equation: recip-a = b*c*sin(alpha)/V recip-b = c*a*sin(beta)/V recip-c = a*b*sin(gamma)/V where V is the cell volume. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
        Returns:
        FloatColumn
      • getReciprocalLengthB

        public FloatColumn getReciprocalLengthB()
        The reciprocal cell length (recip-b) in inverse Angstroms. (recip-a), (recip-b) and (recip-c) are related to the real cell by the following equation: recip-a = b*c*sin(alpha)/V recip-b = c*a*sin(beta)/V recip-c = a*b*sin(gamma)/V where V is the cell volume. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
        Returns:
        FloatColumn
      • getReciprocalLengthC

        public FloatColumn getReciprocalLengthC()
        The reciprocal cell length (recip-c) in inverse Angstroms. (recip-a), (recip-b) and (recip-c) are related to the real cell by the following equation: recip-a = b*c*sin(alpha)/V recip-b = c*a*sin(beta)/V recip-c = a*b*sin(gamma)/V where V is the cell volume. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
        Returns:
        FloatColumn
      • getReciprocalLengthAEsd

        public FloatColumn getReciprocalLengthAEsd()
        The estimated standard deviation of _cell.reciprocal_length_a.
        Returns:
        FloatColumn
      • getReciprocalLengthBEsd

        public FloatColumn getReciprocalLengthBEsd()
        The estimated standard deviation of _cell.reciprocal_length_b.
        Returns:
        FloatColumn
      • getReciprocalLengthCEsd

        public FloatColumn getReciprocalLengthCEsd()
        The estimated standard deviation of _cell.reciprocal_length_c.
        Returns:
        FloatColumn
      • getPdbxUniqueAxis

        public StrColumn getPdbxUniqueAxis()
        To further identify unique axis if necessary. E.g., P 21 with an unique C axis will have 'C' in this field.
        Returns:
        StrColumn