Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category STRUCT_NCS_OPER

Name:
'struct_ncs_oper'

Description:

   Data items in the STRUCT_NCS_OPER category describe the
   noncrystallographic symmetry operations.

   Each operator is specified as a matrix and a subsequent
   translation vector. Operators need not represent proper
   rotations.

Example:

Example 1 - based on laboratory records for the protein NS1. 
 
    _struct_ncs_oper.id              ncsop1
    _struct_ncs_oper.code            given
    _struct_ncs_oper.matrix[1][1]    0.247
    _struct_ncs_oper.matrix[1][2]    0.935
    _struct_ncs_oper.matrix[1][3]    0.256
    _struct_ncs_oper.matrix[2][1]    0.929
    _struct_ncs_oper.matrix[2][2]    0.153
    _struct_ncs_oper.matrix[2][3]    0.337
    _struct_ncs_oper.matrix[3][1]    0.276
    _struct_ncs_oper.matrix[3][2]    0.321
    _struct_ncs_oper.matrix[3][3]   -0.906
    _struct_ncs_oper.vector[1]      -8.253
    _struct_ncs_oper.vector[2]     -11.743
    _struct_ncs_oper.vector[3]      -1.782
    _struct_ncs_oper.details
    ; Matrix and translation vector for pseudo-twofold operation.
    ;


Category groups:
    inclusive_group
    struct_group
Category key:
    _struct_ncs_oper.id

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.