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Category atom_sites

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 Examples




Example 1:

    Example 1 - based on PDB entry 5HVP and laboratory records for the
                structure corresponding to PDB entry 5HVP.




    _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 Category Items

• _atom_sites.entry_id



Items in Category atom_sites

Item Name	Mandatory Code
_atom_sites.Cartn_transf_matrix[1][1]	no
_atom_sites.Cartn_transf_matrix[1][2]	no
_atom_sites.Cartn_transf_matrix[1][3]	no
_atom_sites.Cartn_transf_matrix[2][1]	no
_atom_sites.Cartn_transf_matrix[2][2]	no
_atom_sites.Cartn_transf_matrix[2][3]	no
_atom_sites.Cartn_transf_matrix[3][1]	no
_atom_sites.Cartn_transf_matrix[3][2]	no
_atom_sites.Cartn_transf_matrix[3][3]	no
_atom_sites.Cartn_transf_vector[1]	no
_atom_sites.Cartn_transf_vector[2]	no
_atom_sites.Cartn_transf_vector[3]	no
_atom_sites.Cartn_transform_axes	no
_atom_sites.entry_id	yes
_atom_sites.fract_transf_matrix[1][1]	no
_atom_sites.fract_transf_matrix[1][2]	no
_atom_sites.fract_transf_matrix[1][3]	no
_atom_sites.fract_transf_matrix[2][1]	no
_atom_sites.fract_transf_matrix[2][2]	no
_atom_sites.fract_transf_matrix[2][3]	no
_atom_sites.fract_transf_matrix[3][1]	no
_atom_sites.fract_transf_matrix[3][2]	no
_atom_sites.fract_transf_matrix[3][3]	no
_atom_sites.fract_transf_vector[1]	no
_atom_sites.fract_transf_vector[2]	no
_atom_sites.fract_transf_vector[3]	no
_atom_sites.solution_hydrogens	no
_atom_sites.solution_primary	no
_atom_sites.solution_secondary	no

 

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