chemfp toolkits command-line options¶
toolkits subcommand lists the available cheminformatics
toolkits and versions, or reports why it appears the toolkit is not
The following comes from
chemfp toolkits --help:
Usage: chemfp toolkits [OPTIONS] Show underlying cheminformatics toolkit availability. Options: --help Show this message and exit.
Here is example output showing Open Babel and RDKit are installed but OpenEye’s OEChem and CDK are not.
% chemfp toolkits openbabel - version 3.1.1 installed rdkit - version 2022.09.5 installed oechem - not installed: No module named 'openeye' cdk - not installed: required Python module 'jpype' cannot be imported