OEGetPDBData

std::string OEGetPDBData(const OEMolBase &mol, const std::string &tag)

Returns the PDB data for the given tag. If the molecule does not have that tag, an empty string is returned. If there are multiple items with the same tag, only the first data is returned.

See also

• OEGetPDBDataPairs function to access multiple items with the same tag

• OEAddSDData and OESetSDData functions

• PDB Tagged Data Manipulation section