PDBx/mmCIF
A Member of the wwPDB

Data Category atom_type

Browse:

General

Category name
atom_type
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

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_TYPE category record details about the
               properties of the atoms that occupy the atom sites, such as the
               atomic scattering factors.

Category Examples

2

View/hide Category Examples

Category Example1

View/Hide Category Example 
 
    loop_
    _atom_type.symbol
    _atom_type.oxidation_number
    _atom_type.scat_Cromer_Mann_a1
    _atom_type.scat_Cromer_Mann_a2
    _atom_type.scat_Cromer_Mann_a3
    _atom_type.scat_Cromer_Mann_a4
    _atom_type.scat_Cromer_Mann_b1
    _atom_type.scat_Cromer_Mann_b2
    _atom_type.scat_Cromer_Mann_b3
    _atom_type.scat_Cromer_Mann_b4
    _atom_type.scat_Cromer_Mann_c
      C   0   2.31000  20.8439    1.02000   10.2075
              1.58860   0.568700  0.865000  51.6512      0.21560
      N   0  12.2126    0.005700  3.13220    9.89330
              2.01250  28.9975    1.16630    0.582600  -11.529
      O   0   3.04850  13.2771    2.28680    5.70110
              1.54630   0.323900  0.867000  32.9089      0.250800
      S   0   6.90530   1.46790   5.20340   22.2151
              1.43790   0.253600  1.58630   56.1720      0.866900
      CL -1  18.2915    0.006600  7.20840    1.17170
              6.53370  19.5424    2.33860   60.4486    -16.378

Category Example2

View/Hide Category Example 
 
    loop_
    _atom_type.symbol
    _atom_type.oxidation_number
    _atom_type.number_in_cell
    _atom_type.scat_dispersion_real
    _atom_type.scat_dispersion_imag
    _atom_type.scat_source
     C  0  72  .017  .009  International_Tables_Vol_IV_Table_2.2B
     H  0  100  0     0    International_Tables_Vol_IV_Table_2.2B
     O  0  12  .047  .032  International_Tables_Vol_IV_Table_2.2B
     N  0  4   .029  .018  International_Tables_Vol_IV_Table_2.2B

Key Data Items

Category Data Items

View/hide item list