chemfp toolkits command-line options¶
The toolkits
subcommand lists the available cheminformatics
toolkits and versions, or reports why it appears the toolkit is not
available.
The following comes from chemfp toolkits --help
:
usage: chemfp toolkits [-h]
Show underlying cheminformatics toolkit availability
options:
-h, --help show this help message and exit
Example output:¶
Here is example output showing Open Babel, RDKit, and CDK are installed, but OpenEye’s OEChem is not.
% chemfp toolkits
openbabel - version 3.1.0 installed
rdkit - version 2021.09.4 installed
oechem - not installed: No module named 'openeye'
cdk - version 2.4-SNAPSHOT installed