INDIGO-CANO(1)

💖 INDIGO-CANO(1) — the user manual, but make it cute 💖

okay bestie, welcome to the indigo-cano page from the User Manual (section 1, the classics ✨). Let's get you fluent, no cap.

🌸 NAME 🌸

indigo-cano — produce canonical SMILES or layered code for molecules in MOL or SDF format

🦋 SYNOPSIS 🦋

indigo-cano filename.{mol,rdf,rdf.gz,sdf,sdf.gz,smi} [parameters]

indigo-cano - SMILES [parameters]

✨ DESCRIPTION ✨

So basically, indigo-cano is that girl 💅 — she takes molecules in MOL or SDF format and produces canonical SMILES or layered code for them. That's the whole job. Iconic, lowkey, does exactly what it says on the tin.

👑 OPTIONS 👑

indigo-cano expects a file or SMILES code on the standard input, which then might be followed by one or more of the following parameters. (Yes bestie, standard input — she's flexible like that 🫶)

• -smiles — output canonical SMILES. This is the default, so if you don't say anything, this is what you're getting. Periodt.
• -layered — output canonical layered code instead. Switch it up, main character energy 🌈
• -id <string> — the ID field with the given name in an SDF file. You tell her which field is the ID, she listens 💜
• -no-arom — do not aromatize molecules. No aromatization happening today, thank you 🙈
• -no-tetrahedral — ignore tetrahedral stereocenters. Those stereocenters? Not invited to the function.
• -no-cistrans — ignore cis-trans bonds information. Cis-trans who? Never heard of her 💀

🎀 EXAMPLES 🎀

Here's the vibes in action, fr fr:

indigo-cano infile.sdf
indigo-cano infile.sdf.gz -id molregno > results.txt
indigo-cano infile.smi -layered -no-cistrans
indigo-cano - 'NC1C=CC(O)=CC=1'

Look at that last one — the - is doing the standard-input thing and then the SMILES goes right in there. Ate. 🔥

🌟 AUTHOR 🌟

This manual page was written by Daniel Leidert <dleidert@debian.org>, for the Debian GNU/Linux system (but may be used by others). Shoutout to Daniel, we love a documentation king 👑

and that's the whole page bestie, tysm for reading 💖 mwah! this came from indigo, dated 29/12/2013, and it's INDIGO-CANO(1) — iykyk 🦋✨🎀