PDBx/mmCIF
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Data Item
_pdbx_chem_comp_identifier.program
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General
Item name
_pdbx_chem_comp_identifier.program
Category name
pdbx_chem_comp_identifier
Attribute name
program
Required in PDB entries
yes
Used in current PDB entries
Yes, in about 8.8 % of entries
Used in the Chemical Component dictionary
Yes
Item Description
This data item contains the name of the program or library used to compute the identifier.
Item Examples
8
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Item Example1
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OPENEYE
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DAYLIGHT
Item Example3
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ACD
Item Example4
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AUTONOM
Item Example5
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PUBCHEM_CID
Item Example6
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PUBCHEM_SID
Item Example7
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OTHER
Item Example8
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NONE
Data Type
Data type code
line
Data type detail
char item types / multi-word items ...
Primitive data type code
char
Regular expression
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*