Command line

crabwurcs convert [--from FORMAT] --to FORMAT [INPUT]
crabwurcs normalize-wurcs [--input-file] [INPUT]
crabwurcs mol-to-wurcs --format {mol,sdf,smiles} [FILE]
crabwurcs wurcs-to-mol --format {mol,sdf,smiles} [FILE]
crabwurcs pdb-to-wurcs [--to FORMAT] FILE
crabwurcs render [--from FORMAT] [--output FILE] [INPUT]

Omitted notation input is read from standard input. convert and render accept --input-file when their positional argument is a path. Render output is SVG by default; .svg and .png output suffixes select file type.

Both the Cargo and pip distributions provide the same command name and core behavior, so install only one in a given environment.

Every command that produces WURCS uses the offline normalizer. The dedicated normalize-wurcs command is strict and exits unsuccessfully rather than claiming an unsupported input was normalized.