Package org.rcsb.cif.model.generated
Class Cell
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.Cell
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- 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.
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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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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description FloatColumngetAngleAlpha()Unit-cell angle alpha of the reported structure in degrees.FloatColumngetAngleAlphaEsd()The standard uncertainty (estimated standard deviation) of _cell.angle_alpha.FloatColumngetAngleBeta()Unit-cell angle beta of the reported structure in degrees.FloatColumngetAngleBetaEsd()The standard uncertainty (estimated standard deviation) of _cell.angle_beta.FloatColumngetAngleGamma()Unit-cell angle gamma of the reported structure in degrees.FloatColumngetAngleGammaEsd()The standard uncertainty (estimated standard deviation) of _cell.angle_gamma.StrColumngetDetails()A description of special aspects of the cell choice, noting possible alternative settings.StrColumngetEntryId()This data item is a pointer to _entry.id in the ENTRY category.IntColumngetFormulaUnitsZ()The number of the formula units in the unit cell as specified by _chemical_formula.structural, _chemical_formula.moiety or _chemical_formula.sum.FloatColumngetLengthA()Unit-cell length a corresponding to the structure reported in angstroms.FloatColumngetLengthAEsd()The standard uncertainty (estimated standard deviation) of _cell.length_a.FloatColumngetLengthB()Unit-cell length b corresponding to the structure reported in angstroms.FloatColumngetLengthBEsd()The standard uncertainty (estimated standard deviation) of _cell.length_b.FloatColumngetLengthC()Unit-cell length c corresponding to the structure reported in angstroms.FloatColumngetLengthCEsd()The standard uncertainty (estimated standard deviation) of _cell.length_c.StrColumngetPdbxUniqueAxis()To further identify unique axis if necessary.FloatColumngetReciprocalAngleAlpha()The angle (recip-alpha) defining the reciprocal cell in degrees.FloatColumngetReciprocalAngleAlphaEsd()The estimated standard deviation of _cell.reciprocal_angle_alpha.FloatColumngetReciprocalAngleBeta()The angle (recip-beta) defining the reciprocal cell in degrees.FloatColumngetReciprocalAngleBetaEsd()The estimated standard deviation of _cell.reciprocal_angle_beta.FloatColumngetReciprocalAngleGamma()The angle (recip-gamma) defining the reciprocal cell in degrees.FloatColumngetReciprocalAngleGammaEsd()The estimated standard deviation of _cell.reciprocal_angle_gamma.FloatColumngetReciprocalLengthA()The reciprocal cell length (recip-a) in inverse Angstroms.FloatColumngetReciprocalLengthAEsd()The estimated standard deviation of _cell.reciprocal_length_a.FloatColumngetReciprocalLengthB()The reciprocal cell length (recip-b) in inverse Angstroms.FloatColumngetReciprocalLengthBEsd()The estimated standard deviation of _cell.reciprocal_length_b.FloatColumngetReciprocalLengthC()The reciprocal cell length (recip-c) in inverse Angstroms.FloatColumngetReciprocalLengthCEsd()The estimated standard deviation of _cell.reciprocal_length_c.FloatColumngetVolume()Cell volume V in angstroms cubed.FloatColumngetVolumeEsd()The standard uncertainty (estimated standard deviation) of _cell.volume.IntColumngetZPDB()The number of the polymeric chains in a unit cell.-
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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getAngleAlpha
public FloatColumn getAngleAlpha()
Unit-cell angle alpha of the reported structure in degrees.- Returns:
- FloatColumn
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getAngleAlphaEsd
public FloatColumn getAngleAlphaEsd()
The standard uncertainty (estimated standard deviation) of _cell.angle_alpha.- Returns:
- FloatColumn
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getAngleBeta
public FloatColumn getAngleBeta()
Unit-cell angle beta of the reported structure in degrees.- Returns:
- FloatColumn
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getAngleBetaEsd
public FloatColumn getAngleBetaEsd()
The standard uncertainty (estimated standard deviation) of _cell.angle_beta.- Returns:
- FloatColumn
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getAngleGamma
public FloatColumn getAngleGamma()
Unit-cell angle gamma of the reported structure in degrees.- Returns:
- FloatColumn
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getAngleGammaEsd
public FloatColumn getAngleGammaEsd()
The standard uncertainty (estimated standard deviation) of _cell.angle_gamma.- Returns:
- FloatColumn
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getEntryId
public StrColumn getEntryId()
This data item is a pointer to _entry.id in the ENTRY category.- Returns:
- StrColumn
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getDetails
public StrColumn getDetails()
A description of special aspects of the cell choice, noting possible alternative settings.- Returns:
- StrColumn
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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
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getLengthA
public FloatColumn getLengthA()
Unit-cell length a corresponding to the structure reported in angstroms.- Returns:
- FloatColumn
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getLengthAEsd
public FloatColumn getLengthAEsd()
The standard uncertainty (estimated standard deviation) of _cell.length_a.- Returns:
- FloatColumn
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getLengthB
public FloatColumn getLengthB()
Unit-cell length b corresponding to the structure reported in angstroms.- Returns:
- FloatColumn
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getLengthBEsd
public FloatColumn getLengthBEsd()
The standard uncertainty (estimated standard deviation) of _cell.length_b.- Returns:
- FloatColumn
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getLengthC
public FloatColumn getLengthC()
Unit-cell length c corresponding to the structure reported in angstroms.- Returns:
- FloatColumn
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getLengthCEsd
public FloatColumn getLengthCEsd()
The standard uncertainty (estimated standard deviation) of _cell.length_c.- Returns:
- FloatColumn
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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
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getVolumeEsd
public FloatColumn getVolumeEsd()
The standard uncertainty (estimated standard deviation) of _cell.volume.- Returns:
- FloatColumn
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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
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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
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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
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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
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getReciprocalAngleAlphaEsd
public FloatColumn getReciprocalAngleAlphaEsd()
The estimated standard deviation of _cell.reciprocal_angle_alpha.- Returns:
- FloatColumn
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getReciprocalAngleBetaEsd
public FloatColumn getReciprocalAngleBetaEsd()
The estimated standard deviation of _cell.reciprocal_angle_beta.- Returns:
- FloatColumn
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getReciprocalAngleGammaEsd
public FloatColumn getReciprocalAngleGammaEsd()
The estimated standard deviation of _cell.reciprocal_angle_gamma.- Returns:
- FloatColumn
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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
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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
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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
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getReciprocalLengthAEsd
public FloatColumn getReciprocalLengthAEsd()
The estimated standard deviation of _cell.reciprocal_length_a.- Returns:
- FloatColumn
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getReciprocalLengthBEsd
public FloatColumn getReciprocalLengthBEsd()
The estimated standard deviation of _cell.reciprocal_length_b.- Returns:
- FloatColumn
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getReciprocalLengthCEsd
public FloatColumn getReciprocalLengthCEsd()
The estimated standard deviation of _cell.reciprocal_length_c.- Returns:
- FloatColumn
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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
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