table of contents
| SMI_CHECK(1) | User Commands | SMI_CHECK(1) |
NAME¶
smi_check - warn about unusual features in SMILES
DESCRIPTION¶
USAGE
- smi_check [<args>] [<files>]
DESCRIPTION
- smi_check reads in files with SMILES descriptors and warns about unusual features in it, for example, both superfluous and unmarked chiral centers, strange representations of cis/trans settings etc.
OPTIONS
- --help
- print usage message and exit
| January 2026 | smi_check 0.4.0+dfsg |