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Category chem_comp_bond
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Category Description
Data items in the CHEM_COMP_BOND category record details about
the bonds between atoms in a chemical component. Target values
may be specified as bond orders, as a distance between the two
atoms, or both.
Category Examples
Example 1:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.value_dist
phe N CA sing x.xx
phe CA C sing x.xx
phe C O doub x.xx
phe CB CA sing x.xx
phe CB CG sing x.xx
phe CG CD1 arom x.xx
phe CD1 CE1 arom x.xx
phe CE1 CZ arom x.xx
phe CZ CE2 arom x.xx
phe CE2 CD2 arom x.xx
phe CD2 CG arom x.xx
val N CA sing x.xx
val CA C sing x.xx
val C O doub x.xx
val CB CA sing x.xx
val CB CG1 sing x.xx
val CB CG2 sing x.xx
Key Category Items
Items in Category chem_comp_bond
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Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
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