CHEMDIFF(1)

📦 version 1.4.3, in debian bookworm, debian trixie, ubuntu jammy, ubuntu noble, ubuntu questing, ubuntu resolute, ubuntu stonking

💖 CHEMDIFF 💖

okay so bestie, welcome to chemdiff — it's a whole graphical utility and it's genuinely iconic. let me put you on. 🫶

✨ NAME ✨

chemdiff — finding duplications and visual comparison of two files containing multiple structures 🦋

like, it literally does what it says on the tin. no cap.

🌸 SYNOPSIS 🌸

chemdiff

that's it. that's the whole thing. no flags, no arguments, no drama. just vibe. 💅

🎀 DESCRIPTION 🎀

so chemdiff is a graphical Indigo-based utility for finding duplications and visual comparison of two files containing multiple structures. it's giving "I have two giant files of molecules and I need to know what's going on" and honestly? it ate. 🔥

the supported input formats are:

  • SDF
  • SMILES
  • CML
  • MOLFILE

and here's the part that's lowkey the most impressive — those files can contain a large amount of molecules. like, a lot a lot. it does not care. it just handles it. main character energy fr fr. 👑

✨ ngl, there are at least three use cases, and they're all so valid:
  • compare 2 sets of molecules 🌈
  • find duplicates in a single set of molecules 💀 (yes, in one set — the audacity of some files, honestly)
  • test whether a specified molecule (or some set of molecules) belongs to another set of molecules 🧚

💜 AUTHOR 💜

This manual page was written by Daniel Leidert <dleidert@debian.org>, for the Debian GNU/Linux system (but may be used by others). 🫡 absolute legend behaviour, we love to see it.

okay that's the whole page bestie, go forth and diff some molecules 🍓

indigo · 29/12/2013 — yes the date is giving vintage but she's still serving, mwah 💋✨

📦 where this page comes from