Data Category atom_site_anisotrop

General

Category name
atom_site_anisotrop
Required in PDB entries
no
Category group membership
atom_group
Used in current PDB entries
Yes, in about 20.7 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description

               Data items in the ATOM_SITE_ANISOTROP category record details
               about anisotropic displacement parameters.
               If the ATOM_SITE_ANISOTROP category is used for storing these
               data, the corresponding ATOM_SITE data items are not used.

Category Example

 
    loop_
    _atom_site_anisotrop.id
    _atom_site_anisotrop.type_symbol
    _atom_site_anisotrop.U[1][1]
    _atom_site_anisotrop.U[1][2]
    _atom_site_anisotrop.U[1][3]
    _atom_site_anisotrop.U[2][2]
    _atom_site_anisotrop.U[2][3]
    _atom_site_anisotrop.U[3][3]
     1  O   8642   4866   7299   -342   -258  -1427
     2  C   5174   4871   6243  -1885  -2051  -1377
     3  C   6202   5020   4395  -1130   -556   -632
     4  O   4224   4700   5046   1105   -161    345
     5  C   8684   4688   4171  -1850   -433   -292
     6  O  11226   5255   3532   -341   2685   1328
     7  C  10214   2428   5614  -2610  -1940    902
     8  C   4590   3488   5827    751   -770    986
     9  N   5014   4434   3447    -17  -1593    539
    # ----   abbreviated  ----

Key Data Items

Category Data Items