Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

_chem_comp_atom.charge

Name:
'_chem_comp_atom.charge'

Definition:

   The net integer charge assigned to this atom. This is the
   formal charge assignment normally found in chemical diagrams.

Examples:

1 for an ammonium nitrogen
-1 for a chloride ion

Type: int

Mandatory item: no


The permitted range is [-8, 8]

Enumeration default: 0

Category: chem_comp_atom


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.