Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category ATOM_SITES

Name:
'atom_sites'

Description:

   Data items in the ATOM_SITES category record details about
   the crystallographic cell and cell transformations, which are
   common to all atom sites.

Example:

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



Category groups:
    inclusive_group
    atom_group
Category key:
    _atom_sites.entry_id

Mandatory category: no