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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Description:
Data items in the CHEM_COMP category give details about each of the chemical components from which the relevant chemical structures can be constructed, such as name, mass or charge. The related categories CHEM_COMP_ATOM, CHEM_COMP_BOND, CHEM_COMP_ANGLE etc. describe the detailed geometry of these chemical components.Example:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP.
loop_
_chem_comp.id
_chem_comp.model_source
_chem_comp.name
phe '1987 Protin/Prolsq Ideals file' phenylalanine
val '1987 Protin/Prolsq Ideals file' alanine
# - - - - data truncated for brevity - - - -
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Mandatory category: no
Copyright © 2005 International Union of Crystallography