table of contents
| CDKSDF2INCHI(1) | User Commands | CDKSDF2INCHI(1) |
NAME¶
cdksdf2inchi - convert SDF to InChI
DESCRIPTION¶
Convert SDF (MOL) files to InChI or InChIKey strings.
USAGE
- cdksdf2inchi < input.sdf cdksdf2inchi inputs*.sdf
OPTIONS:¶
- -2, --mdl2000-input
- read MDL2000 format files (default)
- -3, --mdl3000-input
- read MDL3000 format files
-h, --suppress-hydrogens
- suppress explicit hydrogens (default)
-h-, --dont-suppress-hydrogens
- leave explicit hydrogens
| February 2026 | cdksdf2inchi version 0.4.0 |