CDKSDF2INCHI(1)

💖 CDKSDF2INCHI 💖

okay bestie, sit down, we're doing chemistry file conversions and honestly? it's giving iconic. this is the manual page for cdksdf2inchi, part of the User Commands crew. she takes your SDF files and turns them into InChI or InChIKey strings, no cap. 🧪✨

✨ NAME ✨

cdksdf2inchi — convert SDF to InChI

like literally what it says on the tin, babe.

🌸 DESCRIPTION 🌸

Convert SDF (MOL) files to InChI or InChIKey strings.

that's it. that's the whole job. she converts, she slays, she goes home. 💅

🎀 USAGE

cdksdf2inchi < input.sdf cdksdf2inchi inputs*.sdf

so you can either pipe a single file in through stdin, or you can just hand her a whole little glob of files like inputs*.sdf and she'll take them all. obsessed with the flexibility fr fr. 🦋

✨ OPTIONS: ✨

• -2, --mdl2000-input — read MDL2000 format files. this is the default, so if you do nothing, this is what you get. main character energy without even trying. 👑
• -3, --mdl3000-input — read MDL3000 format files. for when your files are a little more modern, a little more upgraded, a little more ~newer~. ✨
• -h, --suppress-hydrogens — suppress explicit hydrogens. also the default! (and yes bestie, -h here is NOT help, do not get played 😭)
• -h-, --dont-suppress-hydrogens — leave explicit hydrogens alone. don't touch them. they're thriving. let them live. 🙈
• --version — Print program version and exit. quick lil vibe check on which version you're running, then she dips.
• --help — Print short help message (this message) and exit. the classic. the moment. 🫶

⚠️ heads up bestie: -h means suppress hydrogens, not help. if you came here looking for help with -h, you're gonna have a bad time. the help flag is --help. periodt.

and that's the whole page, gorgeous. 💜

this whole thing was written by the cdksdf2inchi girlies — version 0.4.0, dated February 2026, filed under CDKSDF2INCHI(1). go convert something cute. 🎀🌈⭐