This new plugin implements the chemkit::LineFormat interface just like the SMILES and InChI line formats and can be used in the same way. For example, to create a guanine molecule from its CAS number (108-95-2) one can simply use:
chemkit::Molecule guanine("108-95-2", "cas");
This also works with the chemkit-translate command line application which allows users to easily convert between CAS numbers and any other molecular line format (e.g. SMILES, InChI, InChIKey) as follows:
chemkit-translate -icas -osmiles 108-95-2
Which will output:
Let me know what you think!