Data Category atom_sites
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General 
- Category name
- atom_sites
- Required in PDB entries
- no
- Category group membership
- atom_group
- Used in current PDB entries
- Yes, in about 100.0 % of entries
Category Relationship Diagrams 
View full category relationship diagram including all dictionary data categories
View abbreviated category relationship diagram including only those categories used in current PDB entries.
Category Description
Data items in the ATOM_SITES category record details about
the crystallographic cell and cell transformations, which are
common to all atom sites.
Category Example
_atom_sites.entry_id '5HVP'
_atom_sites.Cartn_transform_axes
'c along z, astar along x, b along y'
_atom_sites.Cartn_transf_matrix[1][1] 58.39
_atom_sites.Cartn_transf_matrix[1][2] 0.00
_atom_sites.Cartn_transf_matrix[1][3] 0.00
_atom_sites.Cartn_transf_matrix[2][1] 0.00
_atom_sites.Cartn_transf_matrix[2][2] 86.70
_atom_sites.Cartn_transf_matrix[2][3] 0.00
_atom_sites.Cartn_transf_matrix[3][1] 0.00
_atom_sites.Cartn_transf_matrix[3][2] 0.00
_atom_sites.Cartn_transf_matrix[3][3] 46.27
_atom_sites.Cartn_transf_vector[1] 0.00
_atom_sites.Cartn_transf_vector[2] 0.00
_atom_sites.Cartn_transf_vector[3] 0.00
Key Data Items 
Category Data Items
- _atom_sites.entry_id
- _atom_sites.Cartn_transf_matrix[1][1]
- _atom_sites.Cartn_transf_matrix[1][2]
- _atom_sites.Cartn_transf_matrix[1][3]
- _atom_sites.Cartn_transf_matrix[2][1]
- _atom_sites.Cartn_transf_matrix[2][2]
- _atom_sites.Cartn_transf_matrix[2][3]
- _atom_sites.Cartn_transf_matrix[3][1]
- _atom_sites.Cartn_transf_matrix[3][2]
- _atom_sites.Cartn_transf_matrix[3][3]
- _atom_sites.Cartn_transf_vector[1]
- _atom_sites.Cartn_transf_vector[2]
- _atom_sites.Cartn_transf_vector[3]
- _atom_sites.Cartn_transform_axes
- _atom_sites.fract_transf_matrix[1][1]
- _atom_sites.fract_transf_matrix[1][2]
- _atom_sites.fract_transf_matrix[1][3]
- _atom_sites.fract_transf_matrix[2][1]
- _atom_sites.fract_transf_matrix[2][2]
- _atom_sites.fract_transf_matrix[2][3]
- _atom_sites.fract_transf_matrix[3][1]
- _atom_sites.fract_transf_matrix[3][2]
- _atom_sites.fract_transf_matrix[3][3]
- _atom_sites.fract_transf_vector[1]
- _atom_sites.fract_transf_vector[2]
- _atom_sites.fract_transf_vector[3]
- _atom_sites.solution_hydrogens
- _atom_sites.solution_primary
- _atom_sites.solution_secondary
- _atom_sites.special_details