OEGetPDBDataΒΆ

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

Get 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.

Multiple items can be accessed via OEGetPDBDataPairs.

See also