Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category CHEM_COMP_CHIR

Name:
'chem_comp_chir'

Description:

   Data items in the CHEM_COMP_CHIR category provide details about
   the chiral centres in a chemical component. The atoms bonded
   to the chiral atom are specified in the CHEM_COMP_CHIR_ATOM
   category.

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. 
 
    loop_
    _chem_comp_chir.comp_id
    _chem_comp_chir.id
    _chem_comp_chir.atom_id
      phe  phe1  CA
      val  val1  CA
    # - - - - data truncated for brevity - - - -


Category groups:
    inclusive_group
    chem_comp_group
Category keys:
    _chem_comp_chir.comp_id
    _chem_comp_chir.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.