Package org.rcsb.cif.model.generated
Class AtomSites
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.AtomSites
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class AtomSites extends BaseCategory
Data items in the ATOM_SITES category record details about the crystallographic cell and cell transformations, which are common to all atom sites.
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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 FloatColumngetCartnTransfMatrix11()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix12()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix13()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix21()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix22()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix23()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix31()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix32()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfMatrix33()The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.StrColumngetCartnTransformAxes()A description of the relative alignment of the crystal cell axes to the Cartesian orthogonal axes as applied in the transformation matrix _atom_sites.Cartn_transf_matrix[][].FloatColumngetCartnTransfVector1()The elements of the three-element vector used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfVector2()The elements of the three-element vector used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.FloatColumngetCartnTransfVector3()The elements of the three-element vector used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category.StrColumngetEntryId()This data item is a pointer to _entry.id in the ENTRY category.FloatColumngetFractTransfMatrix11()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix12()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix13()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix21()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix22()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix23()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix31()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix32()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfMatrix33()The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfVector1()The elements of the three-element vector used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfVector2()The elements of the three-element vector used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.FloatColumngetFractTransfVector3()The elements of the three-element vector used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category.StrColumngetSolutionHydrogens()This code identifies the method used to locate the hydrogen atoms.StrColumngetSolutionPrimary()This code identifies the method used to locate the initial atom sites.StrColumngetSolutionSecondary()This code identifies the method used to locate the non-hydrogen-atom sites not found by _atom_sites.solution_primary.StrColumngetSpecialDetails()Additional information about the atomic coordinates not coded elsewhere in the CIF.-
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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getEntryId
public StrColumn getEntryId()
This data item is a pointer to _entry.id in the ENTRY category.- Returns:
- StrColumn
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getCartnTransfMatrix11
public FloatColumn getCartnTransfMatrix11()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix12
public FloatColumn getCartnTransfMatrix12()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix13
public FloatColumn getCartnTransfMatrix13()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix21
public FloatColumn getCartnTransfMatrix21()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix22
public FloatColumn getCartnTransfMatrix22()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix23
public FloatColumn getCartnTransfMatrix23()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix31
public FloatColumn getCartnTransfMatrix31()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix32
public FloatColumn getCartnTransfMatrix32()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfMatrix33
public FloatColumn getCartnTransfMatrix33()
The elements of the 3x3 matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.Cartn_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfVector1
public FloatColumn getCartnTransfVector1()
The elements of the three-element vector used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The rotation matrix is defined in _atom_sites.Cartn_transf_matrix[][]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfVector2
public FloatColumn getCartnTransfVector2()
The elements of the three-element vector used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The rotation matrix is defined in _atom_sites.Cartn_transf_matrix[][]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransfVector3
public FloatColumn getCartnTransfVector3()
The elements of the three-element vector used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The rotation matrix is defined in _atom_sites.Cartn_transf_matrix[][]. |x'| |11 12 13| |x| |1| |y'|~Cartesian~ = |21 22 23| |y|~fractional~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getCartnTransformAxes
public StrColumn getCartnTransformAxes()
A description of the relative alignment of the crystal cell axes to the Cartesian orthogonal axes as applied in the transformation matrix _atom_sites.Cartn_transf_matrix[][].- Returns:
- StrColumn
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getFractTransfMatrix11
public FloatColumn getFractTransfMatrix11()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix12
public FloatColumn getFractTransfMatrix12()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix13
public FloatColumn getFractTransfMatrix13()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix21
public FloatColumn getFractTransfMatrix21()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix22
public FloatColumn getFractTransfMatrix22()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix23
public FloatColumn getFractTransfMatrix23()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix31
public FloatColumn getFractTransfMatrix31()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix32
public FloatColumn getFractTransfMatrix32()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfMatrix33
public FloatColumn getFractTransfMatrix33()
The elements of the 3x3 matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x1 translation is defined in _atom_sites.fract_transf_vector[]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfVector1
public FloatColumn getFractTransfVector1()
The elements of the three-element vector used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x3 rotation is defined in _atom_sites.fract_transf_matrix[][]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfVector2
public FloatColumn getFractTransfVector2()
The elements of the three-element vector used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x3 rotation is defined in _atom_sites.fract_transf_matrix[][]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getFractTransfVector3
public FloatColumn getFractTransfVector3()
The elements of the three-element vector used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates in the same category. The axial alignments of this transformation are described in _atom_sites.Cartn_transform_axes. The 3x3 rotation is defined in _atom_sites.fract_transf_matrix[][]. |x'| |11 12 13| |x| |1| |y'|~fractional~ = |21 22 23| |y|~Cartesian~ + |2| |z'| |31 32 33| |z| |3|- Returns:
- FloatColumn
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getSolutionPrimary
public StrColumn getSolutionPrimary()
This code identifies the method used to locate the initial atom sites. *** This data item would not in general be used in a macromolecular data block. ***- Returns:
- StrColumn
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getSolutionSecondary
public StrColumn getSolutionSecondary()
This code identifies the method used to locate the non-hydrogen-atom sites not found by _atom_sites.solution_primary. *** This data item would not in general be used in a macromolecular data block. ***- Returns:
- StrColumn
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getSolutionHydrogens
public StrColumn getSolutionHydrogens()
This code identifies the method used to locate the hydrogen atoms. *** This data item would not in general be used in a macromolecular data block. ***- Returns:
- StrColumn
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getSpecialDetails
public StrColumn getSpecialDetails()
Additional information about the atomic coordinates not coded elsewhere in the CIF.- Returns:
- StrColumn
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