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Item _chem_comp_atom.charge


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Description


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

Category

chem_comp_atom

Item Examples


Example 1:

for an ammonium nitrogen

1

Example 2:

for a chloride ion

-1

Mandatory Code

no

Data Type Code

int

Default Value

0

Enumeration Range

Minimum Value Maximum Value
8 8
-8 8
-8 -8

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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu