Data Item _space_group_symop.operation_xyz

General

Item name
_space_group_symop.operation_xyz
Category name
space_group_symop
Attribute name
operation_xyz
Required in PDB entries
no
Used in current PDB entries
Yes, in about 2.3 % of entries

Item Description

A parsable string giving one of the symmetry operations of the space group in algebraic form. If W is a matrix representation of the rotational part of the symmetry operation defined by the positions and signs of x, y and z, and w is a column of translations defined by the fractions, an equivalent position X' is generated from a given position X by the equation: X' = WX + w (Note: X is used to represent bold_italics_x in International Tables for Crystallography Vol. A, Section 5) When a list of symmetry operations is given, it is assumed that the list contains all the operations of the space group (including the identity operation) as given by the representatives of the general position in International Tables for Crystallography Vol. A.

Item Example

 x,1/2-y,1/2+z

Data Type

Data type code
char
Data type detail
char item types / multi-word items ...
Primitive data type code
char
Regular expression
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Default value
x,y,z

Aliases

Alias Item Name Dictionary Name Dictionary Version
_symmetry_equiv_pos_as_xyz cif_core.dic 1.0