Data Item _pdbx_fraghub_investigation_fraglib_component.isomeric_smiles_program
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General 
- Item name
- _pdbx_fraghub_investigation_fraglib_component.isomeric_smiles_program
- Category name
- pdbx_fraghub_investigation_fraglib_component
- Attribute name
- isomeric_smiles_program
- Required in PDB entries
- no
- Used in current PDB entries
- No
Item Description
This data item contains the name of the program or software library used
to compute the SMILES descriptor for the fragment library compound.
Item Example1
OPENEYE
Item Example2
CACTVS
Item Example3
RDKIT
Item Example4
DAYLIGHT
Item Example5
INCHI
Item Example6
OPENBABEL
Item Example7
OTHER
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|^-]*